CID 10446031

114991-27-4

Structural Information

Molecular Formula
C12H18O5S
SMILES
CC(C)C1=CC(=CC(=C1O)C(C)C)OS(=O)(=O)O
InChI
InChI=1S/C12H18O5S/c1-7(2)10-5-9(17-18(14,15)16)6-11(8(3)4)12(10)13/h5-8,13H,1-4H3,(H,14,15,16)
InChIKey
RKAQPQOYAJQIAA-UHFFFAOYSA-N
Compound name
[4-hydroxy-3,5-di(propan-2-yl)phenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0875 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09478 160.8
[M+Na]+ 297.07672 170.1
[M+NH4]+ 292.12132 166.1
[M+K]+ 313.05066 165.8
[M-H]- 273.08022 159.2
[M+Na-2H]- 295.06217 162.8
[M]+ 274.08695 161.9
[M]- 274.08805 161.9
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

No patent data available for this compound.