CID 130681358

4-chloro-5h,6h,7h-cyclopenta[b]pyridin-5-one

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C1CC(=O)C2=C(C=CN=C21)Cl
InChI
InChI=1S/C8H6ClNO/c9-5-3-4-10-6-1-2-7(11)8(5)6/h3-4H,1-2H2
InChIKey
ZJELSQVCFGGPLJ-UHFFFAOYSA-N
Compound name
4-chloro-6,7-dihydrocyclopenta[b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.0138 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.021076 130.4
[M+Na]+ 190.003018 141.6
[M-H]- 166.006524 133.9
[M+NH4]+ 185.047623 153.7
[M+K]+ 205.976958 137.4
[M+H-H2O]+ 150.011060 125.3
[M+HCOO]- 212.012001 149.0
[M+CH3COO]- 226.027651 145.1
[M+Na-2H]- 187.988466 136.8
[M]+ 167.01325142 131.9
[M]- 167.01434858 131.9
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

No patent data available for this compound.