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 138.8
[M+Na]+ 215.03484 146.7
[M-H]- 191.03834 139.4
[M+NH4]+ 210.07944 158.9
[M+K]+ 231.00878 145.3
[M+H-H2O]+ 175.04288 134.2
[M+HCOO]- 237.04382 156.0
[M+CH3COO]- 251.05947 178.2
[M+Na-2H]- 213.02029 141.7
[M]+ 192.04507 144.3
[M]- 192.04617 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.