CID 52922009

Heptadecyl palmitoleate

Structural Information

Molecular Formula
C33H64O2
SMILES
CCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35-33(34)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-32H2,1-2H3/b16-14-
InChIKey
NXSPXGARRUKOME-PEZBUJJGSA-N
Compound name
heptadecyl (Z)-hexadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

492.49063 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.49791 241.3
[M+Na]+ 515.47985 247.9
[M-H]- 491.48335 223.5
[M+NH4]+ 510.52445 240.1
[M+K]+ 531.45379 247.4
[M+H-H2O]+ 475.48789 233.4
[M+HCOO]- 537.48883 250.4
[M+CH3COO]- 551.50448 248.8
[M+Na-2H]- 513.46530 234.5
[M]+ 492.49008 242.2
[M]- 492.49118 242.2
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