CID 87411548

Propanoic acid, 2-methyl-2-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C9H18O5S
SMILES
CC(C)(C)OC(=O)C(C)(C)OS(=O)(=O)C
InChI
InChI=1S/C9H18O5S/c1-8(2,3)13-7(10)9(4,5)14-15(6,11)12/h1-6H3
InChIKey
QBBNYYLPUPOOPP-UHFFFAOYSA-N
Compound name
tert-butyl 2-methyl-2-methylsulfonyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

238.0875 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.094776 150.3
[M+Na]+ 261.076718 157.5
[M-H]- 237.080224 151.0
[M+NH4]+ 256.121323 168.6
[M+K]+ 277.050658 157.8
[M+H-H2O]+ 221.084760 146.3
[M+HCOO]- 283.085701 164.0
[M+CH3COO]- 297.101351 188.1
[M+Na-2H]- 259.062166 154.9
[M]+ 238.08695142 157.6
[M]- 238.08804858 157.6
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