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]+ 274.180156 165.8
[M+Na]+ 296.162098 172.1
[M-H]- 272.165604 167.9
[M+NH4]+ 291.206703 186.0
[M+K]+ 312.136038 166.3
[M+H-H2O]+ 256.170140 158.9
[M+HCOO]- 318.171081 176.7
[M+CH3COO]- 332.186731 175.4
[M+Na-2H]- 294.147546 167.7
[M]+ 273.17233142 159.8
[M]- 273.17342858 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.