CID 2760579

78183-55-8

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(=O)[C@@H]1CC2=CC=CC=C2CN1

InChI

InChI=1S/C11H13NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-5,10,12H,6-7H2,1H3/t10-/m0/s1

InChIKey

YTNGWXICCHJHKA-JTQLQIEISA-N

Compound name

methyl (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 245
Patents: 191.09464 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	192.10192	140.7
[M+Na]+	214.08386	147.1
[M-H]-	190.08736	142.0
[M+NH4]+	209.12846	159.1
[M+K]+	230.05780	144.3
[M+H-H2O]+	174.09190	134.1
[M+HCOO]-	236.09284	158.4
[M+CH3COO]-	250.10849	180.0
[M+Na-2H]-	212.06931	146.8
[M]+	191.09409	137.7
[M]-	191.09519	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe