CID 1512521

6,7-dihydro-5h-1-pyridin-5-one

Structural Information

Molecular Formula
C8H7NO
SMILES
C1CC(=O)C2=C1N=CC=C2
InChI
InChI=1S/C8H7NO/c10-8-4-3-7-6(8)2-1-5-9-7/h1-2,5H,3-4H2
InChIKey
LMEREVKJVWUGJI-UHFFFAOYSA-N
Compound name
6,7-dihydrocyclopenta[b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
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

literature stripe

Patent stripe

patents stripe