CID 22569269

N-(3-aminobenzyl)acetamide

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC(=O)NCC1=CC(=CC=C1)N

InChI

InChI=1S/C9H12N2O/c1-7(12)11-6-8-3-2-4-9(10)5-8/h2-5H,6,10H2,1H3,(H,11,12)

InChIKey

AJFXJYSVZXKJPL-UHFFFAOYSA-N

Compound name

N-[(3-aminophenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 164.09496 Da
Monoisotopic Mass: -0.1
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]+	165.10224	135.4
[M+Na]+	187.08418	146.1
[M+NH4]+	182.12878	143.4
[M+K]+	203.05812	140.4
[M-H]-	163.08768	138.1
[M+Na-2H]-	185.06963	141.8
[M]+	164.09441	137.4
[M]-	164.09551	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe