CID 4112111

Undecylamine-n,n-dimethyl-n-oxide

Structural Information

Molecular Formula

C₁₃H₂₉NO

SMILES

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

InChI

InChI=1S/C13H29NO/c1-4-5-6-7-8-9-10-11-12-13-14(2,3)15/h4-13H2,1-3H3

InChIKey

OZHBUVQCJMARBN-UHFFFAOYSA-N

Compound name

N,N-dimethylundecan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1604
Patents: 215.22491 Da
Monoisotopic Mass: 4.8
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]+	216.23219	157.7
[M+Na]+	238.21413	161.9
[M-H]-	214.21763	157.1
[M+NH4]+	233.25873	176.5
[M+K]+	254.18807	156.0
[M+H-H2O]+	198.22217	157.4
[M+HCOO]-	260.22311	179.5
[M+CH3COO]-	274.23876	189.0
[M+Na-2H]-	236.19958	163.8
[M]+	215.22436	159.8
[M]-	215.22546	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe