CID 45074001

1028330-54-2

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(=O)C1=CC=CC2=C1CNCC2

InChI

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

InChIKey

SPBFKXXXLXRQOM-UHFFFAOYSA-N

Compound name

methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 226
Patents: 191.09464 Da
Monoisotopic Mass: 1.2
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	141.3
[M+Na]+	214.08386	153.4
[M+NH4]+	209.12846	149.7
[M+K]+	230.05780	147.2
[M-H]-	190.08736	142.7
[M+Na-2H]-	212.06931	146.6
[M]+	191.09409	143.2
[M]-	191.09519	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe