CID 25805

N-amyl-n-methylnitrosamine

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CCCCCN(C)N=O

InChI

InChI=1S/C6H14N2O/c1-3-4-5-6-8(2)7-9/h3-6H2,1-2H3

InChIKey

KSFCDINBDBFFSI-UHFFFAOYSA-N

Compound name

N-methyl-N-pentylnitrous amide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 59
References: 62
Patents: 130.11061 Da
Monoisotopic Mass: 2.0
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	127.8
[M+Na]+	153.09983	134.2
[M-H]-	129.10333	130.9
[M+NH4]+	148.14443	150.7
[M+K]+	169.07377	136.1
[M+H-H2O]+	113.10787	122.0
[M+HCOO]-	175.10881	156.1
[M+CH3COO]-	189.12446	184.2
[M+Na-2H]-	151.08528	135.1
[M]+	130.11006	131.4
[M]-	130.11116	131.4

Literature stripe

literature stripe

Patent stripe

patents stripe