CID 3041823

Brn 1528816

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CCC2=C(C1)C(=O)C3=C(N2)CCC3
InChI
InChI=1S/C12H15NO/c14-12-8-4-1-2-6-10(8)13-11-7-3-5-9(11)12/h1-7H2,(H,13,14)
InChIKey
GRDPOMDASSPZHP-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octahydrocyclopenta[b]quinolin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 140.1
[M+Na]+ 212.10459 147.6
[M-H]- 188.10809 142.4
[M+NH4]+ 207.14919 161.7
[M+K]+ 228.07853 142.9
[M+H-H2O]+ 172.11263 133.9
[M+HCOO]- 234.11357 157.4
[M+CH3COO]- 248.12922 152.3
[M+Na-2H]- 210.09004 145.2
[M]+ 189.11482 135.2
[M]- 189.11592 135.2
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

No patent data available for this compound.