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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06856 142.7
[M+Na]+ 229.05050 150.5
[M-H]- 205.05400 143.4
[M+NH4]+ 224.09510 162.3
[M+K]+ 245.02444 149.4
[M+H-H2O]+ 189.05854 138.6
[M+HCOO]- 251.05948 158.2
[M+CH3COO]- 265.07513 181.6
[M+Na-2H]- 227.03595 146.2
[M]+ 206.06073 148.1
[M]- 206.06183 148.1
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.