CID 45934047

1,3-dipalmitoleoylglycerol

Structural Information

Molecular Formula
C35H64O5
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C35H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,33,36H,3-12,17-32H2,1-2H3/b15-13-,16-14-
InChIKey
UUCZIVACHUFMPO-VMNXYWKNSA-N
Compound name
[3-[(Z)-hexadec-9-enoyl]oxy-2-hydroxypropyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

527
Patents

564.4754 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.482676 248.6
[M+Na]+ 587.464618 254.5
[M-H]- 563.468124 236.4
[M+NH4]+ 582.509223 251.2
[M+K]+ 603.438558 254.8
[M+H-H2O]+ 547.472660 249.0
[M+HCOO]- 609.473601 252.5
[M+CH3COO]- 623.489251 255.8
[M+Na-2H]- 585.450066 233.6
[M]+ 564.47485142 247.8
[M]- 564.47594858 247.8
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