CID 69178897

6-(2-methoxyethoxy)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C12H17NO2
SMILES
COCCOC1=CC2=C(CNCC2)C=C1
InChI
InChI=1S/C12H17NO2/c1-14-6-7-15-12-3-2-11-9-13-5-4-10(11)8-12/h2-3,8,13H,4-7,9H2,1H3
InChIKey
GRPUMXBYKZBGOO-UHFFFAOYSA-N
Compound name
6-(2-methoxyethoxy)-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

207.12593 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 146.0
[M+Na]+ 230.115148 151.9
[M-H]- 206.118654 146.9
[M+NH4]+ 225.159753 163.8
[M+K]+ 246.089088 148.9
[M+H-H2O]+ 190.123190 138.9
[M+HCOO]- 252.124131 164.2
[M+CH3COO]- 266.139781 183.7
[M+Na-2H]- 228.100596 152.7
[M]+ 207.12538142 144.7
[M]- 207.12647858 144.7
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

patents stripe