CID 23290683

36837-97-5

Structural Information

Molecular Formula
C12H18O4S2
SMILES
CC(=C)C(=O)OCCSSCCOC(=O)C(=C)C
InChI
InChI=1S/C12H18O4S2/c1-9(2)11(13)15-5-7-17-18-8-6-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
InChIKey
CGDNFXSLPGLMHK-UHFFFAOYSA-N
Compound name
2-[2-(2-methylprop-2-enoyloxy)ethyldisulfanyl]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2456
Patents

290.06464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.071916 166.0
[M+Na]+ 313.053858 169.9
[M-H]- 289.057364 165.0
[M+NH4]+ 308.098463 181.5
[M+K]+ 329.027798 166.6
[M+H-H2O]+ 273.061900 159.7
[M+HCOO]- 335.062841 173.9
[M+CH3COO]- 349.078491 199.8
[M+Na-2H]- 311.039306 160.8
[M]+ 290.06409142 172.4
[M]- 290.06518858 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe