CID 11600901

Methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

COC(=O)C1=C(C=CC2=C1CCCC2)O

InChI

InChI=1S/C12H14O3/c1-15-12(14)11-9-5-3-2-4-8(9)6-7-10(11)13/h6-7,13H,2-5H2,1H3

InChIKey

FGZPUQMMDVJQQN-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 23
Patents: 206.0943 Da
Monoisotopic Mass: 3.3
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]+	207.10158	143.7
[M+Na]+	229.08352	155.8
[M+NH4]+	224.12812	152.3
[M+K]+	245.05746	149.8
[M-H]-	205.08702	145.5
[M+Na-2H]-	227.06897	148.6
[M]+	206.09375	145.8
[M]-	206.09485	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe