CID 37159

N,n-dimethyltridecylamine n-oxide

Structural Information

Molecular Formula

C₁₅H₃₃NO

SMILES

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

InChI

InChI=1S/C15H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2,3)17/h4-15H2,1-3H3

InChIKey

VHXSGTCOHZCUKB-UHFFFAOYSA-N

Compound name

N,N-dimethyltridecan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1933
Patents: 243.25621 Da
Monoisotopic Mass: 5.8
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]+	244.263486	167.2
[M+Na]+	266.245428	170.6
[M-H]-	242.248934	166.2
[M+NH4]+	261.290033	184.9
[M+K]+	282.219368	164.1
[M+H-H2O]+	226.253470	166.5
[M+HCOO]-	288.254411	188.3
[M+CH3COO]-	302.270061	195.1
[M+Na-2H]-	264.230876	172.2
[M]+	243.25566142	170.1
[M]-	243.25675858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe