CID 5825729

20626-40-8

Structural Information

Molecular Formula
C10H14O4S
SMILES
CCOC(=O)/C=C/S/C=C/C(=O)OCC
InChI
InChI=1S/C10H14O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h5-8H,3-4H2,1-2H3/b7-5+,8-6+
InChIKey
WXIVZEGISIHXKT-KQQUZDAGSA-N
Compound name
ethyl (E)-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]sulfanylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06128 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06856 154.4
[M+Na]+ 253.05050 162.1
[M+NH4]+ 248.09510 159.8
[M+K]+ 269.02444 155.5
[M-H]- 229.05400 151.5
[M+Na-2H]- 251.03595 154.5
[M]+ 230.06073 154.6
[M]- 230.06183 154.6
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.