CID 252237

N,n-diamylnitrosamine

Structural Information

Molecular Formula

C₁₀H₂₂N₂O

SMILES

CCCCCN(CCCCC)N=O

InChI

InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3

InChIKey

OELWBYBVFOLSTA-UHFFFAOYSA-N

Compound name

N,N-dipentylnitrous amide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 36
Patents: 186.17322 Da
Monoisotopic Mass: 3.7
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]+	187.18050	146.4
[M+Na]+	209.16244	151.1
[M-H]-	185.16594	148.7
[M+NH4]+	204.20704	167.0
[M+K]+	225.13638	151.9
[M+H-H2O]+	169.17048	139.8
[M+HCOO]-	231.17142	173.3
[M+CH3COO]-	245.18707	196.3
[M+Na-2H]-	207.14789	151.5
[M]+	186.17267	151.5
[M]-	186.17377	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe