CID 427814

4-aminobenzylamine

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

C1=CC(=CC=C1CN)N

InChI

InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2

InChIKey

BFWYZZPDZZGSLJ-UHFFFAOYSA-N

Compound name

4-(aminomethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 6529
Patents: 122.0844 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]+	123.09168	123.1
[M+Na]+	145.07362	134.7
[M+NH4]+	140.11822	132.3
[M+K]+	161.04756	128.6
[M-H]-	121.07712	126.8
[M+Na-2H]-	143.05907	130.7
[M]+	122.08385	125.6
[M]-	122.08495	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe