CID 6435230

3-(ethylsulfonyl)acrylic acid ethyl ester

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]+ 193.05290 143.0
[M+Na]+ 215.03484 151.2
[M+NH4]+ 210.07944 148.7
[M+K]+ 231.00878 145.7
[M-H]- 191.03834 139.8
[M+Na-2H]- 213.02029 143.9
[M]+ 192.04507 143.3
[M]- 192.04617 143.3
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.