CID 91630

1-(nitrosopropylamino)-2-propanone

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

CCCN(CC(=O)C)N=O

InChI

InChI=1S/C6H12N2O2/c1-3-4-8(7-10)5-6(2)9/h3-5H2,1-2H3

InChIKey

SVLUODRIGFJEJZ-UHFFFAOYSA-N

Compound name

N-(2-oxopropyl)-N-propylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 17
Patents: 144.08987 Da
Monoisotopic Mass: 0.8
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]+	145.09715	129.7
[M+Na]+	167.07909	136.1
[M-H]-	143.08259	132.9
[M+NH4]+	162.12369	151.8
[M+K]+	183.05303	138.3
[M+H-H2O]+	127.08713	123.8
[M+HCOO]-	189.08807	157.4
[M+CH3COO]-	203.10372	186.0
[M+Na-2H]-	165.06454	135.7
[M]+	144.08932	133.4
[M]-	144.09042	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe