CID 22592742

3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C1CCC2=CC(=C(C=C2C1)C(=O)O)O

InChI

InChI=1S/C11H12O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h5-6,12H,1-4H2,(H,13,14)

InChIKey

WFOLEQGOHRSJHA-UHFFFAOYSA-N

Compound name

3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 192.07864 Da
Monoisotopic Mass: 3.0
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]+	193.08592	139.5
[M+Na]+	215.06786	151.2
[M+NH4]+	210.11246	147.8
[M+K]+	231.04180	145.8
[M-H]-	191.07136	140.8
[M+Na-2H]-	213.05331	144.1
[M]+	192.07809	141.3
[M]-	192.07919	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe