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: 114
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]+	165.090996	132.2
[M+Na]+	187.072938	139.6
[M-H]-	163.076444	134.1
[M+NH4]+	182.117543	152.9
[M+K]+	203.046878	136.4
[M+H-H2O]+	147.080980	127.3
[M+HCOO]-	209.081921	150.9
[M+CH3COO]-	223.097571	173.6
[M+Na-2H]-	185.058386	139.0
[M]+	164.08317142	128.4
[M]-	164.08426858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe