CID 597857

2-chloro-4,6-dimethylnicotinamide

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
CC1=CC(=NC(=C1C(=O)N)Cl)C
InChI
InChI=1S/C8H9ClN2O/c1-4-3-5(2)11-7(9)6(4)8(10)12/h3H,1-2H3,(H2,10,12)
InChIKey
NNBAGQPBTCYTKF-UHFFFAOYSA-N
Compound name
2-chloro-4,6-dimethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

184.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.04762 135.8
[M+Na]+ 207.02956 146.4
[M-H]- 183.03306 138.5
[M+NH4]+ 202.07416 155.4
[M+K]+ 223.00350 142.7
[M+H-H2O]+ 167.03760 130.7
[M+HCOO]- 229.03854 154.7
[M+CH3COO]- 243.05419 184.4
[M+Na-2H]- 205.01501 140.0
[M]+ 184.03979 137.3
[M]- 184.04089 137.3
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