CID 22481610

Behenamine oxide

Structural Information

Molecular Formula

C₂₄H₅₁NO

SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)[O-]

InChI

InChI=1S/C24H51NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2,3)26/h4-24H2,1-3H3

InChIKey

GORUZQZCUPHPAX-UHFFFAOYSA-N

Compound name

N,N-dimethyldocosan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1274
Patents: 369.39706 Da
Monoisotopic Mass: 10.7
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]+	370.40434	209.0
[M+Na]+	392.38628	208.6
[M-H]-	368.38978	211.4
[M+NH4]+	387.43088	223.5
[M+K]+	408.36022	199.7
[M+H-H2O]+	352.39432	206.4
[M+HCOO]-	414.39526	241.4
[M+CH3COO]-	428.41091	222.2
[M+Na-2H]-	390.37173	209.2
[M]+	369.39651	226.0
[M]-	369.39761	226.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe