CID 11745519

Deoxyarbutin

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

C1CCOC(C1)OC2=CC=C(C=C2)O

InChI

InChI=1S/C11H14O3/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11-12H,1-3,8H2

InChIKey

GFBCWCDNXDKFRH-UHFFFAOYSA-N

Compound name

4-(oxan-2-yloxy)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 1222
Patents: 194.0943 Da
Monoisotopic Mass: 2.4
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	141.3
[M+Na]+	217.08352	154.0
[M+NH4]+	212.12812	150.2
[M+K]+	233.05746	147.9
[M-H]-	193.08702	146.4
[M+Na-2H]-	215.06897	148.5
[M]+	194.09375	144.5
[M]-	194.09485	144.5

Literature stripe

literature stripe

Patent stripe

patents stripe