CID 3032528

7128-91-8

Structural Information

Molecular Formula

C₁₈H₃₉NO

SMILES

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

InChI

InChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h4-18H2,1-3H3

InChIKey

IBOBFGGLRNWLIL-UHFFFAOYSA-N

Compound name

N,N-dimethylhexadecan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10211
Patents: 285.30316 Da
Monoisotopic Mass: 7.5
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]+	286.31044	177.1
[M+Na]+	308.29238	186.6
[M+NH4]+	303.33698	184.4
[M+K]+	324.26632	179.9
[M-H]-	284.29588	178.3
[M+Na-2H]-	306.27783	179.0
[M]+	285.30261	178.8
[M]-	285.30371	178.8

Literature stripe

literature stripe

Patent stripe

patents stripe