CID 171666156

Gmgt-0

Structural Information

Molecular Formula
C86H170O6
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1299.2997 Da
Monoisotopic Mass

33.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1300.3070 399.6
[M+Na]+ 1322.2889 397.2
[M+NH4]+ 1317.3335 397.5
[M+K]+ 1338.2629 398.0
[M-H]- 1298.2924 393.1
[M+Na-2H]- 1320.2744 406.6
[M]+ 1299.2992 397.7
[M]- 1299.3002 397.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.