CID 3398392

120641-01-2

Structural Information

Molecular Formula
C8H13NO
SMILES
C1CC2C(C1)NCCC2=O
InChI
InChI=1S/C8H13NO/c10-8-4-5-9-7-3-1-2-6(7)8/h6-7,9H,1-5H2
InChIKey
ARUFORLDGOXCSV-UHFFFAOYSA-N
Compound name
1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 130.0
[M+Na]+ 162.08894 135.9
[M-H]- 138.09244 130.9
[M+NH4]+ 157.13354 152.3
[M+K]+ 178.06288 133.3
[M+H-H2O]+ 122.09698 124.4
[M+HCOO]- 184.09792 147.3
[M+CH3COO]- 198.11357 169.4
[M+Na-2H]- 160.07439 134.1
[M]+ 139.09917 123.0
[M]- 139.10027 123.0
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