CID 6435230

73663-91-9

Structural Information

Molecular Formula
C7H12O4S
SMILES
CCOC(=O)/C=C/S(=O)(=O)CC
InChI
InChI=1S/C7H12O4S/c1-3-11-7(8)5-6-12(9,10)4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey
SRVCCYWDCDXZFY-AATRIKPKSA-N
Compound name
ethyl (E)-3-ethylsulfonylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.04562 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.052896 138.8
[M+Na]+ 215.034838 146.7
[M-H]- 191.038344 139.4
[M+NH4]+ 210.079443 158.9
[M+K]+ 231.008778 145.3
[M+H-H2O]+ 175.042880 134.2
[M+HCOO]- 237.043821 156.0
[M+CH3COO]- 251.059471 178.2
[M+Na-2H]- 213.020286 141.7
[M]+ 192.04507142 144.3
[M]- 192.04616858 144.3
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

No patent data available for this compound.