CID 50995846

3-(4-aminophenyl)butanamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC(CC(=O)N)C1=CC=C(C=C1)N

InChI

InChI=1S/C10H14N2O/c1-7(6-10(12)13)8-2-4-9(11)5-3-8/h2-5,7H,6,11H2,1H3,(H2,12,13)

InChIKey

ZMSLSAHYZXDIEF-UHFFFAOYSA-N

Compound name

3-(4-aminophenyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 178.11061 Da
Monoisotopic Mass: 0.7
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	140.4
[M+Na]+	201.09983	146.3
[M-H]-	177.10333	143.1
[M+NH4]+	196.14443	159.3
[M+K]+	217.07377	144.3
[M+H-H2O]+	161.10787	134.1
[M+HCOO]-	223.10881	163.8
[M+CH3COO]-	237.12446	186.9
[M+Na-2H]-	199.08528	143.2
[M]+	178.11006	136.9
[M]-	178.11116	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe