CID 424774

3-amino-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

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

InChI

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

InChIKey

LZPLRAXAVPPVSX-UHFFFAOYSA-N

Compound name

3-amino-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 389
Patents: 164.09496 Da
Monoisotopic Mass: 0.3
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	134.9
[M+Na]+	187.08418	141.8
[M-H]-	163.08768	139.9
[M+NH4]+	182.12878	155.5
[M+K]+	203.05812	141.3
[M+H-H2O]+	147.09222	128.6
[M+HCOO]-	209.09316	160.9
[M+CH3COO]-	223.10881	186.3
[M+Na-2H]-	185.06963	139.9
[M]+	164.09441	134.0
[M]-	164.09551	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe