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

27
Patents

218.02489 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.032166 142.4
[M+Na]+ 241.014108 150.6
[M-H]- 217.017614 143.8
[M+NH4]+ 236.058713 159.9
[M+K]+ 256.988048 147.8
[M+H-H2O]+ 201.022150 137.2
[M+HCOO]- 263.023091 158.9
[M+CH3COO]- 277.038741 177.2
[M+Na-2H]- 238.999556 147.3
[M]+ 218.02434142 146.0
[M]- 218.02543858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe