CID 75481489

6-chloro-5-cyclopropylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
C1CC1C2=C(N=CC(=C2)C(=O)O)Cl
InChI
InChI=1S/C9H8ClNO2/c10-8-7(5-1-2-5)3-6(4-11-8)9(12)13/h3-5H,1-2H2,(H,12,13)
InChIKey
VDVBTAOLRWLUMM-UHFFFAOYSA-N
Compound name
6-chloro-5-cyclopropylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

197.02435 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 139.0
[M+Na]+ 220.01357 154.0
[M+NH4]+ 215.05817 147.8
[M+K]+ 235.98751 149.4
[M-H]- 196.01707 147.9
[M+Na-2H]- 217.99902 148.6
[M]+ 197.02380 145.0
[M]- 197.02490 145.0
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