CID 69332

4-amino-n-methylaniline

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CNC1=CC=C(C=C1)N

InChI

InChI=1S/C7H10N2/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,8H2,1H3

InChIKey

VVYWUQOTMZEJRJ-UHFFFAOYSA-N

Compound name

4-N-methylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2540
Patents: 122.0844 Da
Monoisotopic Mass: 1.5
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	135.0
[M+NH4]+	140.11822	132.5
[M+K]+	161.04756	128.6
[M-H]-	121.07712	127.0
[M+Na-2H]-	143.05907	131.1
[M]+	122.08385	125.8
[M]-	122.08495	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe