CID 2759854

672310-19-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

COC(=O)C1C2=C(CCN1)C=C(C=C2)O

InChI

InChI=1S/C11H13NO3/c1-15-11(14)10-9-3-2-8(13)6-7(9)4-5-12-10/h2-3,6,10,12-13H,4-5H2,1H3

InChIKey

HWLKUJXDHHWAIQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 207.08954 Da
Monoisotopic Mass: 1.1
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]+	208.09682	144.5
[M+Na]+	230.07876	155.9
[M+NH4]+	225.12336	152.0
[M+K]+	246.05270	150.7
[M-H]-	206.08226	144.9
[M+Na-2H]-	228.06421	148.5
[M]+	207.08899	145.9
[M]-	207.09009	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe