CID 25090837

Benzeneethanesulfonic acid, alpha,4-dihydroxy-3-methoxy-alpha-methyl-, sodium salt (1:1)

Structural Information

Molecular Formula
C10H14O6S
SMILES
CC(CC1=CC(=C(C=C1)O)OC)(O)S(=O)(=O)O
InChI
InChI=1S/C10H14O6S/c1-10(12,17(13,14)15)6-7-3-4-8(11)9(5-7)16-2/h3-5,11-12H,6H2,1-2H3,(H,13,14,15)
InChIKey
FLWXOXVWZCFXEZ-UHFFFAOYSA-N
Compound name
2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propane-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.05112 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05840 154.3
[M+Na]+ 285.04034 161.8
[M-H]- 261.04384 154.3
[M+NH4]+ 280.08494 169.4
[M+K]+ 301.01428 159.0
[M+H-H2O]+ 245.04838 149.3
[M+HCOO]- 307.04932 167.1
[M+CH3COO]- 321.06497 184.9
[M+Na-2H]- 283.02579 158.5
[M]+ 262.05057 157.9
[M]- 262.05167 157.9
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

No patent data available for this compound.