CID 68787701

2-chloro-n1,n3-dimethylbenzene-1,3-diamine

Structural Information

Molecular Formula

C₈H₁₁ClN₂

SMILES

CNC1=C(C(=CC=C1)NC)Cl

InChI

InChI=1S/C8H11ClN2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5,10-11H,1-2H3

InChIKey

JCQOUSISYGYBGO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 170.06108 Da
Monoisotopic Mass: 2.5
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]+	171.06836	133.3
[M+Na]+	193.05030	146.5
[M+NH4]+	188.09490	142.9
[M+K]+	209.02424	138.9
[M-H]-	169.05380	137.3
[M+Na-2H]-	191.03575	141.4
[M]+	170.06053	136.6
[M]-	170.06163	136.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe