CID 45489875

1263284-68-9

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=C(C=NC=C2)Cl
InChI
InChI=1S/C9H8ClNO2/c10-8-4-11-2-1-5(8)6-3-7(6)9(12)13/h1-2,4,6-7H,3H2,(H,12,13)/t6-,7+/m0/s1
InChIKey
BIPDSLYSTXXOEW-NKWVEPMBSA-N
Compound name
(1R,2R)-2-(3-chloropyridin-4-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.02435 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 137.1
[M+Na]+ 220.01357 148.2
[M-H]- 196.01707 142.3
[M+NH4]+ 215.05817 150.7
[M+K]+ 235.98751 143.2
[M+H-H2O]+ 180.02161 131.1
[M+HCOO]- 242.02255 154.7
[M+CH3COO]- 256.03820 183.3
[M+Na-2H]- 217.99902 142.3
[M]+ 197.02380 140.9
[M]- 197.02490 140.9
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