CID 21094285

773897-10-2

Structural Information

Molecular Formula

C₁₂H₁₅NO₃

SMILES

COC1=CC2=C(CNCC2C(=O)OC)C=C1

InChI

InChI=1S/C12H15NO3/c1-15-9-4-3-8-6-13-7-11(10(8)5-9)12(14)16-2/h3-5,11,13H,6-7H2,1-2H3

InChIKey

HXXPNIUCDLBEEW-UHFFFAOYSA-N

Compound name

methyl 6-methoxy-1,2,3,4-tetrahydroisoquinoline-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 221.1052 Da
Monoisotopic Mass: 0.9
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]+	222.11248	148.5
[M+Na]+	244.09442	160.3
[M+NH4]+	239.13902	156.2
[M+K]+	260.06836	154.6
[M-H]-	220.09792	149.4
[M+Na-2H]-	242.07987	152.9
[M]+	221.10465	150.3
[M]-	221.10575	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe