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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.068356 134.2
[M+Na]+ 193.050298 143.0
[M-H]- 169.053804 138.2
[M+NH4]+ 188.094903 155.5
[M+K]+ 209.024238 139.2
[M+H-H2O]+ 153.058340 129.4
[M+HCOO]- 215.059281 156.5
[M+CH3COO]- 229.074931 184.1
[M+Na-2H]- 191.035746 141.5
[M]+ 170.06053142 135.0
[M]- 170.06162858 135.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe