CID 86083135

6-chloro-n4-methylpyridine-3,4-diamine

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CNC1=CC(=NC=C1N)Cl
InChI
InChI=1S/C6H8ClN3/c1-9-5-2-6(7)10-3-4(5)8/h2-3H,8H2,1H3,(H,9,10)
InChIKey
GNELYXQWTWDFSS-UHFFFAOYSA-N
Compound name
6-chloro-4-N-methylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

157.04068 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 129.8
[M+Na]+ 180.02990 139.4
[M-H]- 156.03340 132.1
[M+NH4]+ 175.07450 149.9
[M+K]+ 196.00384 135.7
[M+H-H2O]+ 140.03794 124.3
[M+HCOO]- 202.03888 150.8
[M+CH3COO]- 216.05453 180.0
[M+Na-2H]- 178.01535 137.2
[M]+ 157.04013 129.3
[M]- 157.04123 129.3
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