CID 721132

N-(3-aminophenyl)butanamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

InChI=1S/C10H14N2O/c1-2-4-10(13)12-9-6-3-5-8(11)7-9/h3,5-7H,2,4,11H2,1H3,(H,12,13)

InChIKey

DRXFARCOYOPZDW-UHFFFAOYSA-N

Compound name

N-(3-aminophenyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 132
Patents: 178.11061 Da
Monoisotopic Mass: 1.4
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]+	179.11789	139.5
[M+Na]+	201.09983	145.7
[M-H]-	177.10333	142.7
[M+NH4]+	196.14443	158.8
[M+K]+	217.07377	143.5
[M+H-H2O]+	161.10787	133.1
[M+HCOO]-	223.10881	164.6
[M+CH3COO]-	237.12446	185.9
[M+Na-2H]-	199.08528	144.6
[M]+	178.11006	137.6
[M]-	178.11116	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe