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: 18
References: 1328
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]+	195.101576	140.4
[M+Na]+	217.083518	145.7
[M-H]-	193.087024	145.9
[M+NH4]+	212.128123	157.4
[M+K]+	233.057458	144.9
[M+H-H2O]+	177.091560	133.7
[M+HCOO]-	239.092501	159.8
[M+CH3COO]-	253.108151	178.7
[M+Na-2H]-	215.068966	146.9
[M]+	194.09375142	137.6
[M]-	194.09484858	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe