CID 15518459

6,7-dihydrocyclopenta[c]pyridin-5-one

Structural Information

Molecular Formula
C8H7NO
SMILES
C1CC(=O)C2=C1C=NC=C2
InChI
InChI=1S/C8H7NO/c10-8-2-1-6-5-9-4-3-7(6)8/h3-5H,1-2H2
InChIKey
KHWHYHFZHBCYDB-UHFFFAOYSA-N
Compound name
6,7-dihydrocyclopenta[c]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

133.05276 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.06004 123.3
[M+Na]+ 156.04198 132.8
[M-H]- 132.04548 126.8
[M+NH4]+ 151.08658 146.8
[M+K]+ 172.01592 130.5
[M+H-H2O]+ 116.05002 117.5
[M+HCOO]- 178.05096 146.6
[M+CH3COO]- 192.06661 138.1
[M+Na-2H]- 154.02743 131.0
[M]+ 133.05221 122.6
[M]- 133.05331 122.6
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