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 165.8
[M+Na]+ 296.16210 172.1
[M-H]- 272.16560 167.9
[M+NH4]+ 291.20670 186.0
[M+K]+ 312.13604 166.3
[M+H-H2O]+ 256.17014 158.9
[M+HCOO]- 318.17108 176.7
[M+CH3COO]- 332.18673 175.4
[M+Na-2H]- 294.14755 167.7
[M]+ 273.17233 159.8
[M]- 273.17343 159.8
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.