CID 91825688

1-decanoyl-2-oleoylglycerol

Structural Information

Molecular Formula
C31H58O5
SMILES
CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C31H58O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(34)36-29(27-32)28-35-30(33)25-23-21-19-10-8-6-4-2/h14-15,29,32H,3-13,16-28H2,1-2H3/b15-14-
InChIKey
DEHVGTRXTOJYNV-PFONDFGASA-N
Compound name
(1-decanoyloxy-3-hydroxypropan-2-yl) (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

510.42844 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.43572 236.9
[M+Na]+ 533.41766 242.9
[M-H]- 509.42116 225.4
[M+NH4]+ 528.46226 239.3
[M+K]+ 549.39160 241.9
[M+H-H2O]+ 493.42570 237.7
[M+HCOO]- 555.42664 241.5
[M+CH3COO]- 569.44229 245.8
[M+Na-2H]- 531.40311 223.1
[M]+ 510.42789 236.5
[M]- 510.42899 236.5
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

patents stripe