CID 108870

59994-21-7

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₂

SMILES

CC(=O)CC(=O)NC1=CC=CC(=C1)N

InChI

InChI=1S/C10H12N2O2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3,(H,12,14)

InChIKey

LPOVGUZCXWCZLY-UHFFFAOYSA-N

Compound name

N-(3-aminophenyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 192.08987 Da
Monoisotopic Mass: 0.3
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]+	193.09715	141.8
[M+Na]+	215.07909	148.0
[M-H]-	191.08259	145.1
[M+NH4]+	210.12369	160.3
[M+K]+	231.05303	146.2
[M+H-H2O]+	175.08713	135.3
[M+HCOO]-	237.08807	166.3
[M+CH3COO]-	251.10372	188.1
[M+Na-2H]-	213.06454	145.7
[M]+	192.08932	140.0
[M]-	192.09042	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe