CID 7138391

3-(3,4-dihydroisoquinolin-2(1h)-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

56
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 143.5
[M+Na]+ 213.13622 155.7
[M+NH4]+ 208.18082 153.0
[M+K]+ 229.11016 147.7
[M-H]- 189.13972 146.9
[M+Na-2H]- 211.12167 149.8
[M]+ 190.14645 146.1
[M]- 190.14755 146.1
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