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]+ 190.122646 140.1
[M+Na]+ 212.104588 147.6
[M-H]- 188.108094 142.4
[M+NH4]+ 207.149193 161.7
[M+K]+ 228.078528 142.9
[M+H-H2O]+ 172.112630 133.9
[M+HCOO]- 234.113571 157.4
[M+CH3COO]- 248.129221 152.3
[M+Na-2H]- 210.090036 145.2
[M]+ 189.11482142 135.2
[M]- 189.11591858 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.