CID 13478359

2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C13H20N2O2
SMILES
COC1=C(C=C2CN(CCC2=C1)CCN)OC
InChI
InChI=1S/C13H20N2O2/c1-16-12-7-10-3-5-15(6-4-14)9-11(10)8-13(12)17-2/h7-8H,3-6,9,14H2,1-2H3
InChIKey
NXFATFFJLNTYJM-UHFFFAOYSA-N
Compound name
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

236.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 154.5
[M+Na]+ 259.141698 161.3
[M-H]- 235.145204 156.7
[M+NH4]+ 254.186303 171.8
[M+K]+ 275.115638 158.6
[M+H-H2O]+ 219.149740 147.0
[M+HCOO]- 281.150681 174.2
[M+CH3COO]- 295.166331 195.9
[M+Na-2H]- 257.127146 159.0
[M]+ 236.15193142 154.5
[M]- 236.15302858 154.5
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