CID 3047238

Brn 1482209

Structural Information

Molecular Formula
C17H23NO2
SMILES
CN1CCC2=CC(=C(C3=C2C1CCC34CCCC4)O)O
InChI
InChI=1S/C17H23NO2/c1-18-9-5-11-10-13(19)16(20)15-14(11)12(18)4-8-17(15)6-2-3-7-17/h10,12,19-20H,2-9H2,1H3
InChIKey
ADZSDLBQGUFKFI-UHFFFAOYSA-N
Compound name
1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,1'-cyclopentane]-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.1
[M+Na]+ 296.16210 176.1
[M+NH4]+ 291.20670 176.1
[M+K]+ 312.13604 168.9
[M-H]- 272.16560 167.6
[M+Na-2H]- 294.14755 168.2
[M]+ 273.17233 167.4
[M]- 273.17343 167.4
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.