CID 66545176

Ethyl 1-methanesulfonylcyclopropane-1-carboxylate

Structural Information

Molecular Formula
C7H12O4S
SMILES
CCOC(=O)C1(CC1)S(=O)(=O)C
InChI
InChI=1S/C7H12O4S/c1-3-11-6(8)7(4-5-7)12(2,9)10/h3-5H2,1-2H3
InChIKey
NRIOFWFQSUUNDR-UHFFFAOYSA-N
Compound name
ethyl 1-methylsulfonylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

192.04562 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052896 138.6
[M+Na]+ 215.034838 148.1
[M-H]- 191.038344 143.5
[M+NH4]+ 210.079443 155.5
[M+K]+ 231.008778 147.0
[M+H-H2O]+ 175.042880 134.4
[M+HCOO]- 237.043821 155.5
[M+CH3COO]- 251.059471 181.3
[M+Na-2H]- 213.020286 143.5
[M]+ 192.04507142 146.3
[M]- 192.04616858 146.3
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