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

12
Patents

236.15248 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 154.5
[M+Na]+ 259.14170 161.3
[M-H]- 235.14520 156.7
[M+NH4]+ 254.18630 171.8
[M+K]+ 275.11564 158.6
[M+H-H2O]+ 219.14974 147.0
[M+HCOO]- 281.15068 174.2
[M+CH3COO]- 295.16633 195.9
[M+Na-2H]- 257.12715 159.0
[M]+ 236.15193 154.5
[M]- 236.15303 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