CID 56972682

2,5,6,7-tetrahydro-3h-cyclopenta[c]pyridin-3-one

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

2
Patents

135.06842 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.07570 124.3
[M+Na]+ 158.05764 133.4
[M-H]- 134.06114 126.4
[M+NH4]+ 153.10224 147.2
[M+K]+ 174.03158 130.2
[M+H-H2O]+ 118.06568 118.8
[M+HCOO]- 180.06662 146.1
[M+CH3COO]- 194.08227 138.5
[M+Na-2H]- 156.04309 131.6
[M]+ 135.06787 121.8
[M]- 135.06897 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