CID 78498

4760-34-3

Structural Information

Molecular Formula

C₇H₁₀N₂

SMILES

CNC1=CC=CC=C1N

InChI

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

InChIKey

RPKCLSMBVQLWIN-UHFFFAOYSA-N

Compound name

2-N-methylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 2960
Patents: 122.0844 Da
Monoisotopic Mass: 1.2
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]+	123.09168	122.6
[M+Na]+	145.07362	130.2
[M-H]-	121.07712	126.3
[M+NH4]+	140.11822	144.4
[M+K]+	161.04756	128.3
[M+H-H2O]+	105.08166	117.0
[M+HCOO]-	167.08260	149.3
[M+CH3COO]-	181.09825	175.4
[M+Na-2H]-	143.05907	130.8
[M]+	122.08385	119.7
[M]-	122.08495	119.7

Literature stripe

literature stripe

Patent stripe

patents stripe