CID 22652

3,4-dihydro-6,7-dimethoxy-1-methylisoquinoline hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=NCCC2=CC(=C(C=C12)OC)OC
InChI
InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
InChIKey
VASUQTGZAPZKFK-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

211
Patents

205.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 143.8
[M+Na]+ 228.09950 153.1
[M-H]- 204.10300 147.4
[M+NH4]+ 223.14410 163.3
[M+K]+ 244.07344 150.9
[M+H-H2O]+ 188.10754 137.0
[M+HCOO]- 250.10848 165.0
[M+CH3COO]- 264.12413 188.2
[M+Na-2H]- 226.08495 150.6
[M]+ 205.10973 146.7
[M]- 205.11083 146.7
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