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

7
Patents

238.0875 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09478 150.3
[M+Na]+ 261.07672 157.5
[M-H]- 237.08022 151.0
[M+NH4]+ 256.12132 168.6
[M+K]+ 277.05066 157.8
[M+H-H2O]+ 221.08476 146.3
[M+HCOO]- 283.08570 164.0
[M+CH3COO]- 297.10135 188.1
[M+Na-2H]- 259.06217 154.9
[M]+ 238.08695 157.6
[M]- 238.08805 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