CID 102186806

Tyrosol 4-sulfate

Structural Information

Molecular Formula

C₈H₁₀O₅S

SMILES

C1=CC(=CC=C1CCO)OS(=O)(=O)O

InChI

InChI=1S/C8H10O5S/c9-6-5-7-1-3-8(4-2-7)13-14(10,11)12/h1-4,9H,5-6H2,(H,10,11,12)

InChIKey

VCRXMIQBQGCAAL-UHFFFAOYSA-N

Compound name

[4-(2-hydroxyethyl)phenyl] hydrogen sulfate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 218.02489 Da
Monoisotopic Mass: 0.5
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]+	219.03217	144.0
[M+Na]+	241.01411	154.1
[M+NH4]+	236.05871	150.3
[M+K]+	256.98805	148.7
[M-H]-	217.01761	142.9
[M+Na-2H]-	238.99956	148.0
[M]+	218.02434	145.4
[M]-	218.02544	145.4

Literature stripe

literature stripe

Patent stripe

patents stripe