CID 3043916

Benzo(f)quinolin-9-ol, 1,2,3,4,4a,5,6,10b-octahydro-4,10b-dimethyl-, hydrobromide, cis-

Structural Information

Molecular Formula
C15H21NO
SMILES
C[C@@]12CCCN([C@@H]1CCC3=C2C=C(C=C3)O)C
InChI
InChI=1S/C15H21NO/c1-15-8-3-9-16(2)14(15)7-5-11-4-6-12(17)10-13(11)15/h4,6,10,14,17H,3,5,7-9H2,1-2H3/t14-,15+/m1/s1
InChIKey
MKKNZRVMMFROOW-CABCVRRESA-N
Compound name
(4aR,10bS)-4,10b-dimethyl-1,2,3,4a,5,6-hexahydrobenzo[f]quinolin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 154.7
[M+Na]+ 254.151528 161.6
[M-H]- 230.155034 156.7
[M+NH4]+ 249.196133 175.0
[M+K]+ 270.125468 157.1
[M+H-H2O]+ 214.159570 147.6
[M+HCOO]- 276.160511 168.4
[M+CH3COO]- 290.176161 165.5
[M+Na-2H]- 252.136976 160.2
[M]+ 231.16176142 149.9
[M]- 231.16285858 149.9
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.