CID 52922008

Pentadecyl palmitoleate

Structural Information

Molecular Formula
C31H60O2
SMILES
CCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-30H2,1-2H3/b15-13-
InChIKey
SMPDUNNZRJZPTF-SQFISAMPSA-N
Compound name
pentadecyl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

464.45932 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.46660 234.5
[M+Na]+ 487.44854 241.1
[M-H]- 463.45204 217.2
[M+NH4]+ 482.49314 233.0
[M+K]+ 503.42248 225.3
[M+H-H2O]+ 447.45658 225.4
[M+HCOO]- 509.45752 244.1
[M+CH3COO]- 523.47317 243.1
[M+Na-2H]- 485.43399 227.2
[M]+ 464.45877 235.3
[M]- 464.45987 235.3
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

patents stripe