CID 21430354

2-chloro-6-(dimethylamino)isonicotinic acid

Structural Information

Molecular Formula
C8H9ClN2O2
SMILES
CN(C)C1=NC(=CC(=C1)C(=O)O)Cl
InChI
InChI=1S/C8H9ClN2O2/c1-11(2)7-4-5(8(12)13)3-6(9)10-7/h3-4H,1-2H3,(H,12,13)
InChIKey
FZGKYBLWJTYHTF-UHFFFAOYSA-N
Compound name
2-chloro-6-(dimethylamino)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

200.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.042526 138.0
[M+Na]+ 223.024468 147.3
[M-H]- 199.027974 141.0
[M+NH4]+ 218.069073 156.8
[M+K]+ 238.998408 145.0
[M+H-H2O]+ 183.032510 132.5
[M+HCOO]- 245.033451 156.8
[M+CH3COO]- 259.049101 186.8
[M+Na-2H]- 221.009916 142.9
[M]+ 200.03470142 141.0
[M]- 200.03579858 141.0
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