CID 676526

3-amino-n-methylbenzamide

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CNC(=O)C1=CC(=CC=C1)N

InChI

InChI=1S/C8H10N2O/c1-10-8(11)6-3-2-4-7(9)5-6/h2-5H,9H2,1H3,(H,10,11)

InChIKey

PYDQTASEULDNRL-UHFFFAOYSA-N

Compound name

3-amino-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 796
Patents: 150.07932 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]+	151.08660	130.2
[M+Na]+	173.06854	137.4
[M-H]-	149.07204	133.8
[M+NH4]+	168.11314	150.8
[M+K]+	189.04248	135.7
[M+H-H2O]+	133.07658	124.3
[M+HCOO]-	195.07752	156.0
[M+CH3COO]-	209.09317	179.8
[M+Na-2H]-	171.05399	136.5
[M]+	150.07877	127.6
[M]-	150.07987	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe