CID 2758479

688763-13-5

Structural Information

Molecular Formula

C₁₀H₁₄O₅S

SMILES

COC1=C(C=C(C=C1)S(=O)(=O)CCO)OC

InChI

InChI=1S/C10H14O5S/c1-14-9-4-3-8(7-10(9)15-2)16(12,13)6-5-11/h3-4,7,11H,5-6H2,1-2H3

InChIKey

RDVUSDFEJBFMJF-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)sulfonylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 246.0562 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.06348	150.2
[M+Na]+	269.04542	158.9
[M-H]-	245.04892	153.1
[M+NH4]+	264.09002	167.7
[M+K]+	285.01936	156.6
[M+H-H2O]+	229.05346	144.6
[M+HCOO]-	291.05440	167.5
[M+CH3COO]-	305.07005	186.9
[M+Na-2H]-	267.03087	154.0
[M]+	246.05565	156.8
[M]-	246.05675	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe