CID 3143023

103733-33-1

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCOC(=O)C1C2=CC=CC=C2CCN1
InChI
InChI=1S/C12H15NO2/c1-2-15-12(14)11-10-6-4-3-5-9(10)7-8-13-11/h3-6,11,13H,2,7-8H2,1H3
InChIKey
OOIVWSXZWFQHQS-UHFFFAOYSA-N
Compound name
ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

205.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.8
[M+Na]+ 228.09950 157.7
[M+NH4]+ 223.14410 154.1
[M+K]+ 244.07344 151.2
[M-H]- 204.10300 147.2
[M+Na-2H]- 226.08495 150.9
[M]+ 205.10973 147.7
[M]- 205.11083 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe