CID 6435229

Acrylic acid, 3-(butylsulfonyl)-, ethyl ester

Structural Information

Molecular Formula
C9H16O4S
SMILES
CCCCS(=O)(=O)/C=C/C(=O)OCC
InChI
InChI=1S/C9H16O4S/c1-3-5-7-14(11,12)8-6-9(10)13-4-2/h6,8H,3-5,7H2,1-2H3/b8-6+
InChIKey
WYGZZQZWWYNXFY-SOFGYWHQSA-N
Compound name
ethyl (E)-3-butylsulfonylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.07693 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.084206 147.8
[M+Na]+ 243.066148 154.9
[M-H]- 219.069654 148.1
[M+NH4]+ 238.110753 166.8
[M+K]+ 259.040088 153.0
[M+H-H2O]+ 203.074190 142.8
[M+HCOO]- 265.075131 164.4
[M+CH3COO]- 279.090781 184.2
[M+Na-2H]- 241.051596 149.7
[M]+ 220.07638142 154.0
[M]- 220.07747858 154.0
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.