CID 13437070

73902-65-5

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=C(C(=CC=C1)N)NC

InChI

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

InChIKey

LITJVIDAGYUHGN-UHFFFAOYSA-N

Compound name

2-N,3-dimethylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 136.10005 Da
Monoisotopic Mass: 1.6
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]+	137.10733	127.3
[M+Na]+	159.08927	135.4
[M-H]-	135.09277	131.2
[M+NH4]+	154.13387	148.8
[M+K]+	175.06321	133.3
[M+H-H2O]+	119.09731	121.7
[M+HCOO]-	181.09825	153.6
[M+CH3COO]-	195.11390	179.6
[M+Na-2H]-	157.07472	134.2
[M]+	136.09950	125.1
[M]-	136.10060	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe