CID 3038697

Brn 1477893

Structural Information

Molecular Formula
C15H21NO3
SMILES
CN1CCC2=CC(=C(C3=C2[C@@H]1C[C@H](C3)O)OC)OC
InChI
InChI=1S/C15H21NO3/c1-16-5-4-9-6-13(18-2)15(19-3)11-7-10(17)8-12(16)14(9)11/h6,10,12,17H,4-5,7-8H2,1-3H3/t10-,12-/m0/s1
InChIKey
LHDBJYUJLQFBKJ-JQWIXIFHSA-N
Compound name
(8S,9aS)-5,6-dimethoxy-1-methyl-2,3,7,8,9,9a-hexahydrobenzo[de]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 161.4
[M+Na]+ 286.141348 168.7
[M-H]- 262.144854 163.0
[M+NH4]+ 281.185953 179.0
[M+K]+ 302.115288 165.6
[M+H-H2O]+ 246.149390 154.3
[M+HCOO]- 308.150331 175.4
[M+CH3COO]- 322.165981 199.4
[M+Na-2H]- 284.126796 165.2
[M]+ 263.15158142 162.0
[M]- 263.15267858 162.0
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.