CID 27694

6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline

Structural Information

Molecular Formula
C12H17NO2
SMILES
CN1CCC2=CC(=C(C=C2C1)OC)OC
InChI
InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
InChIKey
TXPPKWZEHFNZOE-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

187
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

literature stripe

Patent stripe

patents stripe