CID 83622

13623-10-4

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

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

InChI

InChI=1S/C10H12O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h5-6,11-12H,1-4H2

InChIKey

GVTDRUXHMYZTFF-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydronaphthalene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 164.08372 Da
Monoisotopic Mass: 2.6
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]+	165.09100	132.5
[M+Na]+	187.07294	145.2
[M+NH4]+	182.11754	142.0
[M+K]+	203.04688	138.8
[M-H]-	163.07644	134.8
[M+Na-2H]-	185.05839	138.3
[M]+	164.08317	134.9
[M]-	164.08427	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe