CID 137323870

1,2-(13-methyl-tetradecanyl)-sn-glycerol

Structural Information

Molecular Formula
C33H68O3
SMILES
CC(C)CCCCCCCCCCCCOC[C@H](CO)OCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C33H68O3/c1-31(2)25-21-17-13-9-5-7-11-15-19-23-27-35-30-33(29-34)36-28-24-20-16-12-8-6-10-14-18-22-26-32(3)4/h31-34H,5-30H2,1-4H3/t33-/m0/s1
InChIKey
IGCHOQKDYVBUHO-XIFFEERXSA-N
Compound name
(2S)-2,3-bis(13-methyltetradecoxy)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.51685 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.52413 246.4
[M+Na]+ 535.50607 251.2
[M-H]- 511.50957 230.4
[M+NH4]+ 530.55067 246.2
[M+K]+ 551.48001 252.6
[M+H-H2O]+ 495.51411 246.4
[M+HCOO]- 557.51505 247.5
[M+CH3COO]- 571.53070 252.0
[M+Na-2H]- 533.49152 230.9
[M]+ 512.51630 246.3
[M]- 512.51740 246.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.