CID 1476814

220000-87-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

968
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 144.8
[M+NH4]+ 188.05851 140.0
[M+K]+ 208.98785 138.4
[M-H]- 169.01741 133.5
[M+Na-2H]- 190.99936 139.0
[M]+ 170.02414 134.1
[M]- 170.02524 134.1
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