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

118
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 133.6
[M+Na]+ 176.10459 138.0
[M-H]- 152.10809 134.0
[M+NH4]+ 171.14919 153.3
[M+K]+ 192.07853 135.3
[M+H-H2O]+ 136.11263 127.3
[M+HCOO]- 198.11357 148.3
[M+CH3COO]- 212.12922 172.9
[M+Na-2H]- 174.09004 138.7
[M]+ 153.11482 124.8
[M]- 153.11592 124.8
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