CID 115105122

Methyl 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanoate

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)CCC1CNCC2=CC=CC=C12
InChI
InChI=1S/C13H17NO2/c1-16-13(15)7-6-11-9-14-8-10-4-2-3-5-12(10)11/h2-5,11,14H,6-9H2,1H3
InChIKey
ZEKAIPQEZFPFHN-UHFFFAOYSA-N
Compound name
methyl 3-(1,2,3,4-tetrahydroisoquinolin-4-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.3
[M+Na]+ 242.11515 162.0
[M+NH4]+ 237.15975 158.4
[M+K]+ 258.08909 155.3
[M-H]- 218.11865 151.6
[M+Na-2H]- 240.10060 155.1
[M]+ 219.12538 152.2
[M]- 219.12648 152.2
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

No patent data available for this compound.