CID 2799581

2-chloro-6-methylpyridine-3-carboxamide

Structural Information

Molecular Formula
C7H7ClN2O
SMILES
CC1=NC(=C(C=C1)C(=O)N)Cl
InChI
InChI=1S/C7H7ClN2O/c1-4-2-3-5(7(9)11)6(8)10-4/h2-3H,1H3,(H2,9,11)
InChIKey
QFRWKKWOCPTEKS-UHFFFAOYSA-N
Compound name
2-chloro-6-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

170.02469 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.03197 131.5
[M+Na]+ 193.01391 141.6
[M-H]- 169.01741 133.9
[M+NH4]+ 188.05851 151.3
[M+K]+ 208.98785 138.0
[M+H-H2O]+ 153.02195 126.2
[M+HCOO]- 215.02289 150.7
[M+CH3COO]- 229.03854 180.1
[M+Na-2H]- 190.99936 136.9
[M]+ 170.02414 132.2
[M]- 170.02524 132.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe