PubChemLite - Glycinoprenol 10 (C50H88O)

Structural Information

Molecular Formula

SMILES

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CO)/C)/C)/C)/C)/C)/C)/C

InChI

InChI=1S/C50H88O/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-51/h27,29,31,33,35,37,39,41-43,51H,12-26,28,30,32,34,36,38,40H2,1-11H3/b44-27+,45-29-,46-31+,47-33+,48-35+,49-37+,50-39-

InChIKey

VXLKCFIDVJZHGS-GAZVJNJYSA-N

Compound name

(2Z,6E,10E,14E,18E,22Z,26E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26-heptaen-1-ol

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]+	705.69081	271.5
[M+Na]+	727.67275	282.4
[M-H]-	703.67625	264.6
[M+NH4]+	722.71735	283.1
[M+K]+	743.64669	291.5
[M+H-H2O]+	687.68079	274.1
[M+HCOO]-	749.68173	256.2
[M+CH3COO]-	763.69738	290.5
[M+Na-2H]-	725.65820	259.2
[M]+	704.68298	270.7
[M]-	704.68408	270.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

705.69081

271.5

[M+Na]+

727.67275

282.4

[M-H]-

703.67625

264.6

[M+NH4]+

722.71735

283.1

[M+K]+

743.64669

291.5

[M+H-H2O]+

687.68079

274.1

[M+HCOO]-

749.68173

256.2

[M+CH3COO]-

763.69738

290.5

[M+Na-2H]-

725.65820

259.2

[M]+

704.68298

270.7

[M]-

704.68408

270.7

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

Glycinoprenol 10

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe