CID 96859084

1-(5-chloropyridin-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
C1CC1(C2=NC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO2/c10-6-1-2-7(11-5-6)9(3-4-9)8(12)13/h1-2,5H,3-4H2,(H,12,13)
InChIKey
ATRCQEDYRDZWOL-UHFFFAOYSA-N
Compound name
1-(5-chloropyridin-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

197.02435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 140.8
[M+Na]+ 220.01357 155.7
[M+NH4]+ 215.05817 151.1
[M+K]+ 235.98751 149.2
[M-H]- 196.01707 149.9
[M+Na-2H]- 217.99902 152.1
[M]+ 197.02380 147.1
[M]- 197.02490 147.1
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