CID 156862456

2713992-91-5

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
C1C(CC2=C1C=CN=C2Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO2/c10-8-7-4-6(9(12)13)3-5(7)1-2-11-8/h1-2,6H,3-4H2,(H,12,13)
InChIKey
OGCXBPSEXBJMGL-UHFFFAOYSA-N
Compound name
1-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 138.4
[M+Na]+ 220.013568 148.3
[M-H]- 196.017074 140.6
[M+NH4]+ 215.058173 159.7
[M+K]+ 235.987508 144.0
[M+H-H2O]+ 180.021610 133.5
[M+HCOO]- 242.022551 154.4
[M+CH3COO]- 256.038201 179.2
[M+Na-2H]- 217.999016 142.7
[M]+ 197.02380142 139.3
[M]- 197.02489858 139.3
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