CID 76084

2836-04-6

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CN(C)C1=CC=CC(=C1)N

InChI

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

InChIKey

HHSBHVJQXZLIRW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 1978
Patents: 136.10005 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]+	137.10733	127.6
[M+Na]+	159.08927	134.8
[M-H]-	135.09277	132.6
[M+NH4]+	154.13387	149.5
[M+K]+	175.06321	134.2
[M+H-H2O]+	119.09731	121.6
[M+HCOO]-	181.09825	154.4
[M+CH3COO]-	195.11390	181.9
[M+Na-2H]-	157.07472	134.4
[M]+	136.09950	126.2
[M]-	136.10060	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe