CID 76083

2836-03-5

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CN(C)C1=CC=CC=C1N

InChI

InChI=1S/C8H12N2/c1-10(2)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3

InChIKey

HJXIRCMNJLIHQR-UHFFFAOYSA-N

Compound name

2-N,2-N-dimethylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1639
Patents: 136.10005 Da
Monoisotopic Mass: 1.4
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]+	137.107326	127.6
[M+Na]+	159.089268	134.8
[M-H]-	135.092774	132.6
[M+NH4]+	154.133873	149.5
[M+K]+	175.063208	134.2
[M+H-H2O]+	119.097310	121.6
[M+HCOO]-	181.098251	154.4
[M+CH3COO]-	195.113901	181.9
[M+Na-2H]-	157.074716	134.4
[M]+	136.09950142	126.2
[M]-	136.10059858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe