CID 45542

N-methyl-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
CN1CCC2=C(C1)C=CC(=C2OC)OC
InChI
InChI=1S/C12H17NO2/c1-13-7-6-10-9(8-13)4-5-11(14-2)12(10)15-3/h4-5H,6-8H2,1-3H3
InChIKey
HHVOIBSWCXRZJW-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 145.4
[M+Na]+ 230.11515 153.6
[M-H]- 206.11865 148.6
[M+NH4]+ 225.15975 164.7
[M+K]+ 246.08909 151.6
[M+H-H2O]+ 190.12319 138.6
[M+HCOO]- 252.12413 165.1
[M+CH3COO]- 266.13978 188.6
[M+Na-2H]- 228.10060 151.2
[M]+ 207.12538 146.8
[M]- 207.12648 146.8
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.