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]+ 213.042526 140.7
[M+Na]+ 235.024468 150.9
[M-H]- 211.027974 145.8
[M+NH4]+ 230.069073 153.3
[M+K]+ 250.998408 145.6
[M+H-H2O]+ 195.032510 134.4
[M+HCOO]- 257.033451 159.2
[M+CH3COO]- 271.049101 188.0
[M+Na-2H]- 233.009916 146.1
[M]+ 212.03470142 143.8
[M]- 212.03579858 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

literature stripe

Patent stripe

No patent data available for this compound.