CID 68306

10541-30-7

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CNC1=CC=C(C=C1)NC

InChI

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

InChIKey

PVRZMTHMPKVOBP-UHFFFAOYSA-N

Compound name

1-N,4-N-dimethylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 2461
Patents: 136.10005 Da
Monoisotopic Mass: 1.9
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	126.8
[M+Na]+	159.08927	133.9
[M-H]-	135.09277	130.8
[M+NH4]+	154.13387	148.3
[M+K]+	175.06321	132.1
[M+H-H2O]+	119.09731	120.9
[M+HCOO]-	181.09825	153.8
[M+CH3COO]-	195.11390	179.1
[M+Na-2H]-	157.07472	135.5
[M]+	136.09950	125.2
[M]-	136.10060	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe