CID 199214

6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC1C2=C(C(=C(C=C2CCN1)OC)OC)O
InChI
InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3
InChIKey
PRNZAMQMBOFSJY-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

223.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.128126 149.5
[M+Na]+ 246.110068 157.7
[M-H]- 222.113574 150.2
[M+NH4]+ 241.154673 166.9
[M+K]+ 262.084008 154.6
[M+H-H2O]+ 206.118110 143.3
[M+HCOO]- 268.119051 166.3
[M+CH3COO]- 282.134701 187.0
[M+Na-2H]- 244.095516 153.7
[M]+ 223.12030142 149.2
[M]- 223.12139858 149.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe