CID 20327152

Schembl18742213

Structural Information

Molecular Formula
C7H8ClN3O
SMILES
CC1=CC(=NC(=C1C(=O)N)N)Cl
InChI
InChI=1S/C7H8ClN3O/c1-3-2-4(8)11-6(9)5(3)7(10)12/h2H,1H3,(H2,9,11)(H2,10,12)
InChIKey
YPFSAWFQVROHGL-UHFFFAOYSA-N
Compound name
2-amino-6-chloro-4-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

185.03558 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.04286 137.0
[M+Na]+ 208.02480 147.1
[M-H]- 184.02830 139.3
[M+NH4]+ 203.06940 155.9
[M+K]+ 223.99874 143.2
[M+H-H2O]+ 168.03284 131.6
[M+HCOO]- 230.03378 156.6
[M+CH3COO]- 244.04943 185.8
[M+Na-2H]- 206.01025 140.8
[M]+ 185.03503 136.4
[M]- 185.03613 136.4
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