CID 3143020

Octahydro-4(1h)-quinolinone

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CCC2C(C1)C(=O)CCN2
InChI
InChI=1S/C9H15NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h7-8,10H,1-6H2
InChIKey
VZTBFFGJFFYFRT-UHFFFAOYSA-N
Compound name
2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

153.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 134.4
[M+Na]+ 176.10459 144.9
[M+NH4]+ 171.14919 143.7
[M+K]+ 192.07853 138.3
[M-H]- 152.10809 136.0
[M+Na-2H]- 174.09004 138.2
[M]+ 153.11482 136.1
[M]- 153.11592 136.1
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