CID 16226748

5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol

Structural Information

Molecular Formula
C11H15NO3
SMILES
COC1=C2CNCC(C2=C(C=C1)OC)O
InChI
InChI=1S/C11H15NO3/c1-14-9-3-4-10(15-2)11-7(9)5-12-6-8(11)13/h3-4,8,12-13H,5-6H2,1-2H3
InChIKey
WHRGDXAUJLJDPU-UHFFFAOYSA-N
Compound name
5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 144.9
[M+Na]+ 232.09442 152.6
[M-H]- 208.09792 145.4
[M+NH4]+ 227.13902 162.5
[M+K]+ 248.06836 149.6
[M+H-H2O]+ 192.10246 138.6
[M+HCOO]- 254.10340 162.1
[M+CH3COO]- 268.11905 182.7
[M+Na-2H]- 230.07987 150.3
[M]+ 209.10465 143.8
[M]- 209.10575 143.8
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.