CID 104549

Einecs 258-668-6

Structural Information

Molecular Formula

C₆H₁₀O₆S

SMILES

CC(=C)C(=O)OCCOS(=O)(=O)O

InChI

InChI=1S/C6H10O6S/c1-5(2)6(7)11-3-4-12-13(8,9)10/h1,3-4H2,2H3,(H,8,9,10)

InChIKey

ATZXURVLNCRXQJ-UHFFFAOYSA-N

Compound name

2-sulfooxyethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 700
Patents: 210.0198 Da
Monoisotopic Mass: 0.1
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]+	211.02708	140.2
[M+Na]+	233.00902	147.2
[M-H]-	209.01252	139.2
[M+NH4]+	228.05362	158.3
[M+K]+	248.98296	146.6
[M+H-H2O]+	193.01706	135.4
[M+HCOO]-	255.01800	155.5
[M+CH3COO]-	269.03365	178.4
[M+Na-2H]-	230.99447	142.4
[M]+	210.01925	145.6
[M]-	210.02035	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe