CID 74543

2-sulfoethyl methacrylate

Structural Information

Molecular Formula

C₆H₁₀O₅S

SMILES

CC(=C)C(=O)OCCS(=O)(=O)O

InChI

InChI=1S/C6H10O5S/c1-5(2)6(7)11-3-4-12(8,9)10/h1,3-4H2,2H3,(H,8,9,10)

InChIKey

PRAMZQXXPOLCIY-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enoyloxy)ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 23793
Patents: 194.02489 Da
Monoisotopic Mass: 0.0
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]+	195.032166	137.4
[M+Na]+	217.014108	144.6
[M-H]-	193.017614	136.6
[M+NH4]+	212.058713	156.3
[M+K]+	232.988048	143.5
[M+H-H2O]+	177.022150	133.0
[M+HCOO]-	239.023091	152.6
[M+CH3COO]-	253.038741	176.2
[M+Na-2H]-	214.999556	139.4
[M]+	194.02434142	141.4
[M]-	194.02543858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe