CID 72212221

1060808-99-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 137.9
[M+Na]+ 220.01357 148.8
[M-H]- 196.01707 143.2
[M+NH4]+ 215.05817 153.1
[M+K]+ 235.98751 144.9
[M+H-H2O]+ 180.02161 132.7
[M+HCOO]- 242.02255 155.2
[M+CH3COO]- 256.03820 181.8
[M+Na-2H]- 217.99902 144.7
[M]+ 197.02380 141.7
[M]- 197.02490 141.7
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.