CID 68209574

N-((3-aminophenyl)methyl)prop-2-enamide

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c1-2-10(13)12-7-8-4-3-5-9(11)6-8/h2-6H,1,7,11H2,(H,12,13)

InChIKey

GSGVBPGQEFMAKO-UHFFFAOYSA-N

Compound name

N-[(3-aminophenyl)methyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 176.09496 Da
Monoisotopic Mass: 0.5
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]+	177.10224	139.1
[M+Na]+	199.08418	149.7
[M+NH4]+	194.12878	146.7
[M+K]+	215.05812	143.7
[M-H]-	175.08768	141.6
[M+Na-2H]-	197.06963	145.2
[M]+	176.09441	141.0
[M]-	176.09551	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe