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: 91
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]+	193.085916	138.8
[M+Na]+	215.067858	145.6
[M-H]-	191.071364	140.6
[M+NH4]+	210.112463	158.1
[M+K]+	231.041798	142.6
[M+H-H2O]+	175.075900	133.6
[M+HCOO]-	237.076841	156.5
[M+CH3COO]-	251.092491	178.9
[M+Na-2H]-	213.053306	143.8
[M]+	192.07809142	135.5
[M]-	192.07918858	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe