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]+ 264.15941 161.4
[M+Na]+ 286.14135 168.7
[M-H]- 262.14485 163.0
[M+NH4]+ 281.18595 179.0
[M+K]+ 302.11529 165.6
[M+H-H2O]+ 246.14939 154.3
[M+HCOO]- 308.15033 175.4
[M+CH3COO]- 322.16598 199.4
[M+Na-2H]- 284.12680 165.2
[M]+ 263.15158 162.0
[M]- 263.15268 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.