CID 16771667

4-amino-n,3-dimethylbenzamide

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC1=C(C=CC(=C1)C(=O)NC)N

InChI

InChI=1S/C9H12N2O/c1-6-5-7(9(12)11-2)3-4-8(6)10/h3-5H,10H2,1-2H3,(H,11,12)

InChIKey

NXJKKMUCCPHXMG-UHFFFAOYSA-N

Compound name

4-amino-N,3-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 164.09496 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]+	165.10224	135.2
[M+Na]+	187.08418	146.3
[M+NH4]+	182.12878	143.2
[M+K]+	203.05812	140.8
[M-H]-	163.08768	138.0
[M+Na-2H]-	185.06963	141.4
[M]+	164.09441	137.3
[M]-	164.09551	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe