CID 53726

N-nitroso(2-oxobutyl)(2-oxopropyl)amine

Structural Information

Molecular Formula

C₇H₁₂N₂O₃

SMILES

CCC(=O)CN(CC(=O)C)N=O

InChI

InChI=1S/C7H12N2O3/c1-3-7(11)5-9(8-12)4-6(2)10/h3-5H2,1-2H3

InChIKey

PMENDGPEYXEHSF-UHFFFAOYSA-N

Compound name

N-(2-oxobutyl)-N-(2-oxopropyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 172.0848 Da
Monoisotopic Mass: 0.2
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]+	173.09208	137.3
[M+Na]+	195.07402	144.8
[M+NH4]+	190.11862	143.2
[M+K]+	211.04796	141.6
[M-H]-	171.07752	136.4
[M+Na-2H]-	193.05947	139.8
[M]+	172.08425	137.5
[M]-	172.08535	137.5

Literature stripe

literature stripe

Patent stripe

patents stripe