CID 3613321

3171-46-8

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

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

InChI

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

InChIKey

DMEPVFSJYHJGCD-UHFFFAOYSA-N

Compound name

3,5-dimethylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 362
Patents: 136.10005 Da
Monoisotopic Mass: 1.3
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	139.5
[M+NH4]+	154.13387	136.4
[M+K]+	175.06321	133.5
[M-H]-	135.09277	131.1
[M+Na-2H]-	157.07472	134.2
[M]+	136.09950	130.0
[M]-	136.10060	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe