CID 20130805

3-amino-n-phenylbutanamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

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

InChI

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

InChIKey

JZZMNRPDRVJKBO-UHFFFAOYSA-N

Compound name

3-amino-N-phenylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.11061 Da
Monoisotopic Mass: 1.1
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	140.5
[M+Na]+	201.09983	150.3
[M+NH4]+	196.14443	148.3
[M+K]+	217.07377	145.0
[M-H]-	177.10333	143.0
[M+Na-2H]-	199.08528	146.5
[M]+	178.11006	142.3
[M]-	178.11116	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe