CID 43131961

3-[(3-methylphenyl)amino]propanamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC1=CC(=CC=C1)NCCC(=O)N

InChI

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

InChIKey

AVBQFUYWQXFIFZ-UHFFFAOYSA-N

Compound name

3-(3-methylanilino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 178.11061 Da
Monoisotopic Mass: 1.7
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	139.2
[M+Na]+	201.09983	145.4
[M-H]-	177.10333	142.4
[M+NH4]+	196.14443	158.5
[M+K]+	217.07377	143.2
[M+H-H2O]+	161.10787	132.8
[M+HCOO]-	223.10881	164.3
[M+CH3COO]-	237.12446	186.6
[M+Na-2H]-	199.08528	144.4
[M]+	178.11006	137.4
[M]-	178.11116	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe