CID 3143023

L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid methyl ester hydrochloride

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

69
Patents

205.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.3
[M+Na]+ 228.099498 151.3
[M-H]- 204.103004 146.4
[M+NH4]+ 223.144103 163.2
[M+K]+ 244.073438 148.2
[M+H-H2O]+ 188.107540 138.5
[M+HCOO]- 250.108481 162.7
[M+CH3COO]- 264.124131 183.0
[M+Na-2H]- 226.084946 150.9
[M]+ 205.10973142 142.7
[M]- 205.11082858 142.7
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