CID 656879

1,2-dihydroxy-7-hydroxymethylnaphthalene

Structural Information

Molecular Formula

C₁₁H₁₀O₃

SMILES

C1=CC(=CC2=C1C=CC(=C2O)O)CO

InChI

InChI=1S/C11H10O3/c12-6-7-1-2-8-3-4-10(13)11(14)9(8)5-7/h1-5,12-14H,6H2

InChIKey

WJAGQFGIDQJIGK-UHFFFAOYSA-N

Compound name

7-(hydroxymethyl)naphthalene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 190.06299 Da
Monoisotopic Mass: 1.6
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]+	191.07027	137.6
[M+Na]+	213.05221	151.4
[M+NH4]+	208.09681	146.2
[M+K]+	229.02615	145.3
[M-H]-	189.05571	139.4
[M+Na-2H]-	211.03766	143.7
[M]+	190.06244	140.0
[M]-	190.06354	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe