CID 21430354

56836-19-2

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

24
Patents

200.03525 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.04253 138.0
[M+Na]+ 223.02447 147.3
[M-H]- 199.02797 141.0
[M+NH4]+ 218.06907 156.8
[M+K]+ 238.99841 145.0
[M+H-H2O]+ 183.03251 132.5
[M+HCOO]- 245.03345 156.8
[M+CH3COO]- 259.04910 186.8
[M+Na-2H]- 221.00992 142.9
[M]+ 200.03470 141.0
[M]- 200.03580 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