CID 43444477

Methyl 2-(2-methylpropane-2-sulfonyl)acetate

Structural Information

Molecular Formula
C7H14O4S
SMILES
CC(C)(C)S(=O)(=O)CC(=O)OC
InChI
InChI=1S/C7H14O4S/c1-7(2,3)12(9,10)5-6(8)11-4/h5H2,1-4H3
InChIKey
WCUZWGQTUBKTIO-UHFFFAOYSA-N
Compound name
methyl 2-tert-butylsulfonylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

194.06128 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06856 139.5
[M+Na]+ 217.05050 147.4
[M-H]- 193.05400 140.4
[M+NH4]+ 212.09510 159.7
[M+K]+ 233.02444 147.2
[M+H-H2O]+ 177.05854 135.5
[M+HCOO]- 239.05948 155.1
[M+CH3COO]- 253.07513 179.5
[M+Na-2H]- 215.03595 143.5
[M]+ 194.06073 145.2
[M]- 194.06183 145.2
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

patents stripe