CID 114919009

5-chloro-2-(cyclopropylamino)pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C9H9ClN2O2
SMILES
C1CC1NC2=NC=C(C(=C2)C(=O)O)Cl
InChI
InChI=1S/C9H9ClN2O2/c10-7-4-11-8(12-5-1-2-5)3-6(7)9(13)14/h3-5H,1-2H2,(H,11,12)(H,13,14)
InChIKey
NCSZLPPRCHEMOT-UHFFFAOYSA-N
Compound name
5-chloro-2-(cyclopropylamino)pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03525 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04253 142.1
[M+Na]+ 235.02447 155.9
[M+NH4]+ 230.06907 150.5
[M+K]+ 250.99841 151.7
[M-H]- 211.02797 151.3
[M+Na-2H]- 233.00992 151.4
[M]+ 212.03470 147.9
[M]- 212.03580 147.9
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

No patent data available for this compound.