CID 76537

5,8-dihydro-1,4-naphthalenediol

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1C=CCC2=C(C=CC(=C21)O)O

InChI

InChI=1S/C10H10O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-2,5-6,11-12H,3-4H2

InChIKey

LZODMDMDIZUSHT-UHFFFAOYSA-N

Compound name

5,8-dihydronaphthalene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 162.06808 Da
Monoisotopic Mass: 2.3
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]+	163.07536	130.6
[M+Na]+	185.05730	139.0
[M-H]-	161.06080	132.9
[M+NH4]+	180.10190	151.4
[M+K]+	201.03124	135.6
[M+H-H2O]+	145.06534	125.6
[M+HCOO]-	207.06628	150.8
[M+CH3COO]-	221.08193	173.2
[M+Na-2H]-	183.04275	138.3
[M]+	162.06753	128.2
[M]-	162.06863	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe