CID 7138391

3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-amine

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CN(CC2=CC=CC=C21)CCCN
InChI
InChI=1S/C12H18N2/c13-7-3-8-14-9-6-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10,13H2
InChIKey
OZWGXKVQFUBMTE-UHFFFAOYSA-N
Compound name
3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

190.147 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 143.1
[M+Na]+ 213.13622 148.8
[M-H]- 189.13972 144.9
[M+NH4]+ 208.18082 161.9
[M+K]+ 229.11016 145.1
[M+H-H2O]+ 173.14426 135.8
[M+HCOO]- 235.14520 162.8
[M+CH3COO]- 249.16085 186.4
[M+Na-2H]- 211.12167 149.7
[M]+ 190.14645 139.2
[M]- 190.14755 139.2
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