CID 62451

Octyldimethylamine oxide

Structural Information

Molecular Formula

C₁₀H₂₃NO

SMILES

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

InChI

InChI=1S/C10H23NO/c1-4-5-6-7-8-9-10-11(2,3)12/h4-10H2,1-3H3

InChIKey

RSVIRMFSJVHWJV-UHFFFAOYSA-N

Compound name

N,N-dimethyloctan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 6946
Patents: 173.17796 Da
Monoisotopic Mass: 3.1
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]+	174.18524	141.3
[M+Na]+	196.16718	152.5
[M+NH4]+	191.21178	149.9
[M+K]+	212.14112	147.7
[M-H]-	172.17068	142.9
[M+Na-2H]-	194.15263	145.3
[M]+	173.17741	143.3
[M]-	173.17851	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe