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 140.7
[M+Na]+ 235.02447 150.9
[M-H]- 211.02797 145.8
[M+NH4]+ 230.06907 153.3
[M+K]+ 250.99841 145.6
[M+H-H2O]+ 195.03251 134.4
[M+HCOO]- 257.03345 159.2
[M+CH3COO]- 271.04910 188.0
[M+Na-2H]- 233.00992 146.1
[M]+ 212.03470 143.8
[M]- 212.03580 143.8
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.