CID 2512818

4-(aminomethyl)benzamide

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

C1=CC(=CC=C1CN)C(=O)N

InChI

InChI=1S/C8H10N2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H2,10,11)

InChIKey

JKIHDSIADUBKPU-UHFFFAOYSA-N

Compound name

4-(aminomethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 617
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	130.5
[M+Na]+	173.06854	137.5
[M-H]-	149.07204	133.5
[M+NH4]+	168.11314	150.6
[M+K]+	189.04248	135.5
[M+H-H2O]+	133.07658	124.5
[M+HCOO]-	195.07752	155.6
[M+CH3COO]-	209.09317	179.9
[M+Na-2H]-	171.05399	135.6
[M]+	150.07877	126.9
[M]-	150.07987	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe