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 154.0
[M+Na]+ 285.04034 160.7
[M-H]- 261.04384 154.9
[M+NH4]+ 280.08494 169.4
[M+K]+ 301.01428 158.6
[M+H-H2O]+ 245.04838 148.1
[M+HCOO]- 307.04932 168.9
[M+CH3COO]- 321.06497 186.3
[M+Na-2H]- 283.02579 157.1
[M]+ 262.05057 159.0
[M]- 262.05167 159.0
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