CID 56972682

937202-87-4

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2=CC(=O)NC=C2C1
InChI
InChI=1S/C8H9NO/c10-8-4-6-2-1-3-7(6)5-9-8/h4-5H,1-3H2,(H,9,10)
InChIKey
RGLVIBYOXXKPPK-UHFFFAOYSA-N
Compound name
2,5,6,7-tetrahydrocyclopenta[c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

135.06842 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.075696 124.3
[M+Na]+ 158.057638 133.4
[M-H]- 134.061144 126.4
[M+NH4]+ 153.102243 147.2
[M+K]+ 174.031578 130.2
[M+H-H2O]+ 118.065680 118.8
[M+HCOO]- 180.066621 146.1
[M+CH3COO]- 194.082271 138.5
[M+Na-2H]- 156.043086 131.6
[M]+ 135.06787142 121.8
[M]- 135.06896858 121.8
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