CID 59216308

854267-90-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

197.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.031626 137.9
[M+Na]+ 220.013568 148.8
[M-H]- 196.017074 143.2
[M+NH4]+ 215.058173 153.1
[M+K]+ 235.987508 144.9
[M+H-H2O]+ 180.021610 132.7
[M+HCOO]- 242.022551 155.2
[M+CH3COO]- 256.038201 181.8
[M+Na-2H]- 217.999016 144.7
[M]+ 197.02380142 141.7
[M]- 197.02489858 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

patents stripe