CID 71363004

Chebi:90125

Structural Information

Molecular Formula

C₂₁H₄₁NO₂

SMILES

CCCCCCCCC=CCCCCCCCC(=O)NC(C)CO

InChI

InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-20(2)19-23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)

InChIKey

IPVYNYWIRWMRHH-UHFFFAOYSA-N

Compound name

N-(1-hydroxypropan-2-yl)octadec-9-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 12
Patents: 339.31372 Da
Monoisotopic Mass: 6.8
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]+	340.320996	195.9
[M+Na]+	362.302938	195.7
[M-H]-	338.306444	192.0
[M+NH4]+	357.347543	208.5
[M+K]+	378.276878	191.4
[M+H-H2O]+	322.310980	188.4
[M+HCOO]-	384.311921	213.1
[M+CH3COO]-	398.327571	217.0
[M+Na-2H]-	360.288386	192.1
[M]+	339.31317142	200.1
[M]-	339.31426858	200.1

Literature stripe

literature stripe

Patent stripe

patents stripe