CID 119031248

Tert-butyl 2-(ethenesulfonyl)acetate

Structural Information

Molecular Formula

C₈H₁₄O₄S

SMILES

CC(C)(C)OC(=O)CS(=O)(=O)C=C

InChI

InChI=1S/C8H14O4S/c1-5-13(10,11)6-7(9)12-8(2,3)4/h5H,1,6H2,2-4H3

InChIKey

LUIDIEJSPJROKT-UHFFFAOYSA-N

Compound name

tert-butyl 2-ethenylsulfonylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 206.06128 Da
Monoisotopic Mass: 1.0
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]+	207.068556	142.7
[M+Na]+	229.050498	150.5
[M-H]-	205.054004	143.4
[M+NH4]+	224.095103	162.3
[M+K]+	245.024438	149.4
[M+H-H2O]+	189.058540	138.6
[M+HCOO]-	251.059481	158.2
[M+CH3COO]-	265.075131	181.6
[M+Na-2H]-	227.035946	146.2
[M]+	206.06073142	148.1
[M]-	206.06182858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.