CID 23619031

N-nitrosomethylamylamine

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CCCCCNCN=O

InChI

InChI=1S/C6H14N2O/c1-2-3-4-5-7-6-8-9/h7H,2-6H2,1H3

InChIKey

QITAPFGSXHNLQM-UHFFFAOYSA-N

Compound name

N-(nitrosomethyl)pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 52
References: 0
Patents: 130.11061 Da
Monoisotopic Mass: 1.0
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]+	131.11789	127.4
[M+Na]+	153.09983	133.5
[M-H]-	129.10333	128.9
[M+NH4]+	148.14443	149.6
[M+K]+	169.07377	134.0
[M+H-H2O]+	113.10787	121.8
[M+HCOO]-	175.10881	155.1
[M+CH3COO]-	189.12446	180.6
[M+Na-2H]-	151.08528	135.5
[M]+	130.11006	129.7
[M]-	130.11116	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe