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

27
Patents

137.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 127.9
[M+Na]+ 160.073278 134.8
[M-H]- 136.076784 129.2
[M+NH4]+ 155.117883 150.3
[M+K]+ 176.047218 132.1
[M+H-H2O]+ 120.081320 122.3
[M+HCOO]- 182.082261 146.7
[M+CH3COO]- 196.097911 169.0
[M+Na-2H]- 158.058726 133.0
[M]+ 137.08351142 122.4
[M]- 137.08460858 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