CID 14222103

114381-79-2

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
C1CC2=CC(=C(N=C2C1)Cl)C(=O)O
InChI
InChI=1S/C9H8ClNO2/c10-8-6(9(12)13)4-5-2-1-3-7(5)11-8/h4H,1-3H2,(H,12,13)
InChIKey
NERLVPPFPICRNA-UHFFFAOYSA-N
Compound name
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

197.02435 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03163 138.4
[M+Na]+ 220.01357 148.3
[M-H]- 196.01707 140.6
[M+NH4]+ 215.05817 159.7
[M+K]+ 235.98751 144.0
[M+H-H2O]+ 180.02161 133.5
[M+HCOO]- 242.02255 154.4
[M+CH3COO]- 256.03820 179.2
[M+Na-2H]- 217.99902 142.7
[M]+ 197.02380 139.3
[M]- 197.02490 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