CID 46207833

4-(tetrahydro-2h-pyran-4-yl)benzene-1,3-diol

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C1COCCC1C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C11H14O3/c12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8/h1-2,7-8,12-13H,3-6H2

InChIKey

YVJHGULPEXKTIJ-UHFFFAOYSA-N

Compound name

4-(oxan-4-yl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 70
Patents: 194.0943 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]+	195.10158	141.0
[M+Na]+	217.08352	146.8
[M-H]-	193.08702	145.4
[M+NH4]+	212.12812	157.6
[M+K]+	233.05746	145.1
[M+H-H2O]+	177.09156	134.8
[M+HCOO]-	239.09250	158.8
[M+CH3COO]-	253.10815	177.4
[M+Na-2H]-	215.06897	146.3
[M]+	194.09375	136.8
[M]-	194.09485	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe