CID 9835868

Palmitoleoyl ethanolamide

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCCCCC/C=C\CCCCCCCC(=O)NCCO
InChI
InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7-
InChIKey
WFRLANWAASSSFV-FPLPWBNLSA-N
Compound name
(Z)-N-(2-hydroxyethyl)hexadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

36
References

798
Patents

297.26678 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 181.6
[M+Na]+ 320.25600 183.0
[M-H]- 296.25950 178.3
[M+NH4]+ 315.30060 196.0
[M+K]+ 336.22994 178.8
[M+H-H2O]+ 280.26404 174.6
[M+HCOO]- 342.26498 200.8
[M+CH3COO]- 356.28063 207.2
[M+Na-2H]- 318.24145 180.7
[M]+ 297.26623 185.3
[M]- 297.26733 185.3
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