CID 3470176

Schembl2469001

Structural Information

Molecular Formula
C10H14O6S
SMILES
COC1=CC(=CC=C1)OCC(CS(=O)(=O)O)O
InChI
InChI=1S/C10H14O6S/c1-15-9-3-2-4-10(5-9)16-6-8(11)7-17(12,13)14/h2-5,8,11H,6-7H2,1H3,(H,12,13,14)
InChIKey
OIJVXSUXLHQOBT-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(3-methoxyphenoxy)propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

262.05112 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05840 155.2
[M+Na]+ 285.04034 163.9
[M+NH4]+ 280.08494 160.3
[M+K]+ 301.01428 159.5
[M-H]- 261.04384 153.2
[M+Na-2H]- 283.02579 158.0
[M]+ 262.05057 156.0
[M]- 262.05167 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe