CID 5367703

Palmitoleyl palmitate

Structural Information

Molecular Formula
C32H62O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-31H2,1-2H3/b15-13-
InChIKey
GUFSIRYLADOCMW-SQFISAMPSA-N
Compound name
[(Z)-hexadec-9-enyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

478.47498 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.48226 238.7
[M+Na]+ 501.46420 244.5
[M-H]- 477.46770 220.4
[M+NH4]+ 496.50880 236.6
[M+K]+ 517.43814 228.8
[M+H-H2O]+ 461.47224 229.4
[M+HCOO]- 523.47318 247.3
[M+CH3COO]- 537.48883 246.0
[M+Na-2H]- 499.44965 230.9
[M]+ 478.47443 238.8
[M]- 478.47553 238.8
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