CID 92133535

6-chloro-5-methylpyridine-2,3-diamine

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CC1=CC(=C(N=C1Cl)N)N
InChI
InChI=1S/C6H8ClN3/c1-3-2-4(8)6(9)10-5(3)7/h2H,8H2,1H3,(H2,9,10)
InChIKey
QFELPKKIIWKVSF-UHFFFAOYSA-N
Compound name
6-chloro-5-methylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 130.5
[M+Na]+ 180.02990 141.1
[M-H]- 156.03340 132.8
[M+NH4]+ 175.07450 150.7
[M+K]+ 196.00384 137.0
[M+H-H2O]+ 140.03794 125.4
[M+HCOO]- 202.03888 150.9
[M+CH3COO]- 216.05453 180.6
[M+Na-2H]- 178.01535 136.1
[M]+ 157.04013 129.4
[M]- 157.04123 129.4
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