CID 24705523

3-[(methylamino)methyl]benzamide hydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CNCC1=CC(=CC=C1)C(=O)N

InChI

InChI=1S/C9H12N2O/c1-11-6-7-3-2-4-8(5-7)9(10)12/h2-5,11H,6H2,1H3,(H2,10,12)

InChIKey

PQFGHODEZJAWEU-UHFFFAOYSA-N

Compound name

3-(methylaminomethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 164.09496 Da
Monoisotopic Mass: 0.2
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	145.9
[M+NH4]+	182.12878	143.3
[M+K]+	203.05812	140.3
[M-H]-	163.08768	138.0
[M+Na-2H]-	185.06963	141.7
[M]+	164.09441	137.2
[M]-	164.09551	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe