CID 118816

Einecs 252-550-8

Structural Information

Molecular Formula
C12H18O4S
SMILES
CC(=C)C(=O)OCCSCCOC(=O)C(=C)C
InChI
InChI=1S/C12H18O4S/c1-9(2)11(13)15-5-7-17-8-6-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
InChIKey
AXXUFOMEPPBIHV-UHFFFAOYSA-N
Compound name
2-[2-(2-methylprop-2-enoyloxy)ethylsulfanyl]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

949
Patents

258.0926 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09988 160.2
[M+Na]+ 281.08182 164.8
[M-H]- 257.08532 159.8
[M+NH4]+ 276.12642 177.2
[M+K]+ 297.05576 163.3
[M+H-H2O]+ 241.08986 154.4
[M+HCOO]- 303.09080 174.2
[M+CH3COO]- 317.10645 195.3
[M+Na-2H]- 279.06727 156.6
[M]+ 258.09205 166.1
[M]- 258.09315 166.1
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

patents stripe