CID 20248640

N1,3-dimethylbenzene-1,4-diamine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

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

InChI

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

InChIKey

XOBAIYPLCUTNFV-UHFFFAOYSA-N

Compound name

4-N,2-dimethylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
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	127.4
[M+Na]+	159.08927	139.5
[M+NH4]+	154.13387	136.7
[M+K]+	175.06321	133.1
[M-H]-	135.09277	131.4
[M+Na-2H]-	157.07472	135.0
[M]+	136.09950	130.2
[M]-	136.10060	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe