CID 289261

1h,2h,5h,6h,7h-cyclopenta[b]pyridin-2-one

Structural Information

Molecular Formula
C8H9NO
SMILES
C1CC2=C(C1)NC(=O)C=C2
InChI
InChI=1S/C8H9NO/c10-8-5-4-6-2-1-3-7(6)9-8/h4-5H,1-3H2,(H,9,10)
InChIKey
GXXRRIYKTZNCNC-UHFFFAOYSA-N
Compound name
1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

135.06842 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe