CID 56936054

Palmitoleamide

Structural Information

Molecular Formula

C₁₆H₃₁NO

SMILES

CCCCCC/C=C\CCCCCCCC(=O)N

InChI

InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H2,17,18)/b8-7-

InChIKey

YRPQTVNCCVPGFA-FPLPWBNLSA-N

Compound name

(Z)-hexadec-9-enamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 551
Patents: 253.24057 Da
Monoisotopic Mass: 5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.24785	169.8
[M+Na]+	276.22979	172.4
[M-H]-	252.23329	167.7
[M+NH4]+	271.27439	186.4
[M+K]+	292.20373	168.8
[M+H-H2O]+	236.23783	163.1
[M+HCOO]-	298.23877	190.3
[M+CH3COO]-	312.25442	201.9
[M+Na-2H]-	274.21524	169.4
[M]+	253.24002	172.3
[M]-	253.24112	172.3

Literature stripe

literature stripe

Patent stripe

patents stripe