CID 78201

4455-15-6

Structural Information

Molecular Formula
C5H10O4S
SMILES
CCOC(=O)CS(=O)(=O)C
InChI
InChI=1S/C5H10O4S/c1-3-9-5(6)4-10(2,7)8/h3-4H2,1-2H3
InChIKey
OCCWQCYBCZADCE-UHFFFAOYSA-N
Compound name
ethyl 2-methylsulfonylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

287
Patents

166.02998 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.037256 130.9
[M+Na]+ 189.019198 139.2
[M-H]- 165.022704 131.8
[M+NH4]+ 184.063803 152.0
[M+K]+ 204.993138 138.9
[M+H-H2O]+ 149.027240 126.5
[M+HCOO]- 211.028181 148.5
[M+CH3COO]- 225.043831 173.8
[M+Na-2H]- 187.004646 134.7
[M]+ 166.02943142 136.3
[M]- 166.03052858 136.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe