CID 68438

Naphthalene-1,8-diol

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

C1=CC2=C(C(=C1)O)C(=CC=C2)O

InChI

InChI=1S/C10H8O2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6,11-12H

InChIKey

OENHRRVNRZBNNS-UHFFFAOYSA-N

Compound name

naphthalene-1,8-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 63
References: 4718
Patents: 160.05243 Da
Monoisotopic Mass: 2.8
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]+	161.05971	129.6
[M+Na]+	183.04165	144.2
[M+NH4]+	178.08625	139.3
[M+K]+	199.01559	137.3
[M-H]-	159.04515	132.3
[M+Na-2H]-	181.02710	137.3
[M]+	160.05188	132.5
[M]-	160.05298	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe