CID 244861

Octahydro-4h-quinolizin-4-one

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CCN2C(C1)CCCC2=O
InChI
InChI=1S/C9H15NO/c11-9-6-3-5-8-4-1-2-7-10(8)9/h8H,1-7H2
InChIKey
KBBXPRPSOFVSSQ-UHFFFAOYSA-N
Compound name
1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

153.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 132.9
[M+Na]+ 176.10459 137.7
[M-H]- 152.10809 134.7
[M+NH4]+ 171.14919 153.4
[M+K]+ 192.07853 135.9
[M+H-H2O]+ 136.11263 126.3
[M+HCOO]- 198.11357 149.2
[M+CH3COO]- 212.12922 175.5
[M+Na-2H]- 174.09004 138.5
[M]+ 153.11482 125.9
[M]- 153.11592 125.9
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