CID 56935939

Palmitoleyl palmitoleate

Structural Information

Molecular Formula
C32H60O2
SMILES
CCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C32H60O2/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/h13-16H,3-12,17-31H2,1-2H3/b15-13-,16-14-
InChIKey
PKUDBCXTPWBBHG-VMNXYWKNSA-N
Compound name
[(Z)-hexadec-9-enyl] (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

476.45932 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.46660 237.1
[M+Na]+ 499.44854 242.8
[M-H]- 475.45204 218.9
[M+NH4]+ 494.49314 234.6
[M+K]+ 515.42248 227.0
[M+H-H2O]+ 459.45658 228.0
[M+HCOO]- 521.45752 245.8
[M+CH3COO]- 535.47317 244.6
[M+Na-2H]- 497.43399 229.3
[M]+ 476.45877 236.3
[M]- 476.45987 236.3
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