CID 24903387

845306-04-9

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
CNC(=O)C1=NC(=CC=C1)Cl
InChI
InChI=1S/C7H7ClN2O/c1-9-7(11)5-3-2-4-6(8)10-5/h2-4H,1H3,(H,9,11)
InChIKey
PZDCYXWZXSTONB-UHFFFAOYSA-N
Compound name
6-chloro-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

170.02469 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03197 131.4
[M+Na]+ 193.01391 140.6
[M-H]- 169.01741 134.0
[M+NH4]+ 188.05851 151.3
[M+K]+ 208.98785 137.4
[M+H-H2O]+ 153.02195 125.8
[M+HCOO]- 215.02289 151.2
[M+CH3COO]- 229.03854 179.0
[M+Na-2H]- 190.99936 138.7
[M]+ 170.02414 132.7
[M]- 170.02524 132.7
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