CID 53394

N-nitrosomethyldecylamine

Structural Information

Molecular Formula

C₁₁H₂₄N₂O

SMILES

CCCCCCCCCCN(C)N=O

InChI

InChI=1S/C11H24N2O/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h3-11H2,1-2H3

InChIKey

FWIVLSMSIPKDRU-UHFFFAOYSA-N

Compound name

N-decyl-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 200.18886 Da
Monoisotopic Mass: 4.7
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]+	201.196136	151.0
[M+Na]+	223.178078	155.2
[M-H]-	199.181584	153.1
[M+NH4]+	218.222683	171.1
[M+K]+	239.152018	155.8
[M+H-H2O]+	183.186120	144.2
[M+HCOO]-	245.187061	177.6
[M+CH3COO]-	259.202711	199.3
[M+Na-2H]-	221.163526	155.6
[M]+	200.18831142	156.5
[M]-	200.18940858	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe