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]+ 210.112476 144.9
[M+Na]+ 232.094418 152.6
[M-H]- 208.097924 145.4
[M+NH4]+ 227.139023 162.5
[M+K]+ 248.068358 149.6
[M+H-H2O]+ 192.102460 138.6
[M+HCOO]- 254.103401 162.1
[M+CH3COO]- 268.119051 182.7
[M+Na-2H]- 230.079866 150.3
[M]+ 209.10465142 143.8
[M]- 209.10574858 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.