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]+ 191.154276 143.1
[M+Na]+ 213.136218 148.8
[M-H]- 189.139724 144.9
[M+NH4]+ 208.180823 161.9
[M+K]+ 229.110158 145.1
[M+H-H2O]+ 173.144260 135.8
[M+HCOO]- 235.145201 162.8
[M+CH3COO]- 249.160851 186.4
[M+Na-2H]- 211.121666 149.7
[M]+ 190.14645142 139.2
[M]- 190.14754858 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