CID 63376780

6-chloro-2-[(prop-2-yn-1-yl)amino]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H7ClN2O2
SMILES
C#CCNC1=C(C=CC(=N1)Cl)C(=O)O
InChI
InChI=1S/C9H7ClN2O2/c1-2-5-11-8-6(9(13)14)3-4-7(10)12-8/h1,3-4H,5H2,(H,11,12)(H,13,14)
InChIKey
IWSPUHBBGZZLQI-UHFFFAOYSA-N
Compound name
6-chloro-2-(prop-2-ynylamino)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0196 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.02688 141.1
[M+Na]+ 233.00882 153.1
[M+NH4]+ 228.05342 144.7
[M+K]+ 248.98276 144.6
[M-H]- 209.01232 133.9
[M+Na-2H]- 230.99427 143.9
[M]+ 210.01905 140.0
[M]- 210.02015 140.0
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

No patent data available for this compound.