Gmgt-0 (C86H170O6)

Structural Information

Molecular Formula

SMILES

CC1CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC2CCCC(CCCC(CCCC(CCOCC(OCCC(CCCC(CCCC(CCCC(CCC(CCC1)C)CC2)C)C)C)CO)C)C)C)C)C)C)C)CO)C)C

InChI

InChI=1S/C86H170O6/c1-69-27-15-29-71(3)37-21-43-79(11)57-61-89-67-85(65-87)91-63-59-81(13)45-23-39-73(5)30-16-28-70(2)36-20-42-78(10)52-53-83-49-25-47-75(7)33-17-31-72(4)38-22-44-80(12)58-62-90-68-86(66-88)92-64-60-82(14)46-24-40-74(6)32-18-34-76(8)48-26-50-84(56-55-83)54-51-77(9)41-19-35-69/h69-88H,15-68H2,1-14H3

InChIKey

SUAYXMARQJEBDT-UHFFFAOYSA-N

Compound name

[56-(hydroxymethyl)-4,8,12,16,25,29,33,37,44,48,52,61,65,69-tetradecamethyl-19,22,55,58-tetraoxabicyclo[38.32.2]tetraheptacontan-20-yl]methanol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	1300.306976	414.4
[M+Na]+	1322.288918	416.1
[M-H]-	1298.292424	407.7
[M+NH4]+	1317.333523	410.1
[M+K]+	1338.262858	392.8
[M+H-H2O]+	1282.296960	369.4
[M+HCOO]-	1344.297901	408.2
[M+CH3COO]-	1358.313551	407.6
[M+Na-2H]-	1320.274366	425.5
[M]+	1299.29915142	417.5
[M]-	1299.30024858	417.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1300.306976

414.4

[M+Na]+

1322.288918

416.1

[M-H]-

1298.292424

407.7

[M+NH4]+

1317.333523

410.1

[M+K]+

1338.262858

392.8

[M+H-H2O]+

1282.296960

369.4

[M+HCOO]-

1344.297901

408.2

[M+CH3COO]-

1358.313551

407.6

[M+Na-2H]-

1320.274366

425.5

[M]+

1299.29915142

417.5

[M]-

1299.30024858

417.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Gmgt-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe