CID 6428973

1,2,3,4,5,6-hexahydro-7h-cyclopenta[b]pyridin-7-one

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CC2=C(C(=O)CC2)NC1
InChI
InChI=1S/C8H11NO/c10-7-4-3-6-2-1-5-9-8(6)7/h9H,1-5H2
InChIKey
JOAMMKKZSZEDHD-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6-hexahydrocyclopenta[b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.9
[M+Na]+ 160.07328 134.8
[M-H]- 136.07678 129.2
[M+NH4]+ 155.11788 150.3
[M+K]+ 176.04722 132.1
[M+H-H2O]+ 120.08132 122.3
[M+HCOO]- 182.08226 146.7
[M+CH3COO]- 196.09791 169.0
[M+Na-2H]- 158.05873 133.0
[M]+ 137.08351 122.4
[M]- 137.08461 122.4
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