CID 5282285

1-o-(1z-tetradecenyl)-2-(9z-octadecenoyl)-sn-glycerol

Structural Information

Molecular Formula
C35H66O4
SMILES
CCCCCCCCCCCC/C=C\OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C35H66O4/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(37)39-34(32-36)33-38-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,29,31,34,36H,3-16,19-28,30,32-33H2,1-2H3/b18-17-,31-29-/t34-/m0/s1
InChIKey
JIVLVDABBQIAOL-RDUBIJJSSA-N
Compound name
[(2S)-1-hydroxy-3-[(Z)-tetradec-1-enoxy]propan-2-yl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.4961 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.50338 248.9
[M+Na]+ 573.48532 254.2
[M-H]- 549.48882 233.7
[M+NH4]+ 568.52992 248.8
[M+K]+ 589.45926 254.4
[M+H-H2O]+ 533.49336 248.4
[M+HCOO]- 595.49430 254.2
[M+CH3COO]- 609.50995 254.7
[M+Na-2H]- 571.47077 233.1
[M]+ 550.49555 248.0
[M]- 550.49665 248.0
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.