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]+ 232.16959 155.3
[M+Na]+ 254.15153 168.4
[M+NH4]+ 249.19613 166.7
[M+K]+ 270.12547 158.4
[M-H]- 230.15503 158.5
[M+Na-2H]- 252.13698 161.1
[M]+ 231.16176 158.3
[M]- 231.16286 158.3
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.