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]+ 158.047956 130.5
[M+Na]+ 180.029898 141.1
[M-H]- 156.033404 132.8
[M+NH4]+ 175.074503 150.7
[M+K]+ 196.003838 137.0
[M+H-H2O]+ 140.037940 125.4
[M+HCOO]- 202.038881 150.9
[M+CH3COO]- 216.054531 180.6
[M+Na-2H]- 178.015346 136.1
[M]+ 157.04013142 129.4
[M]- 157.04122858 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