CID 3046402

62052-65-7

Structural Information

Molecular Formula
C20H26O8S2
SMILES
CC(C)OC(=O)C(=C1SCC(S1)OC(=O)C2CC=CCC2C(=O)O)C(=O)OC(C)C
InChI
InChI=1S/C20H26O8S2/c1-10(2)26-18(24)15(19(25)27-11(3)4)20-29-9-14(30-20)28-17(23)13-8-6-5-7-12(13)16(21)22/h5-6,10-14H,7-9H2,1-4H3,(H,21,22)
InChIKey
WGLPLPDTZOYGGR-UHFFFAOYSA-N
Compound name
6-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]cyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1069 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11418 198.3
[M+Na]+ 481.09612 199.5
[M+NH4]+ 476.14072 200.5
[M+K]+ 497.07006 198.6
[M-H]- 457.09962 195.1
[M+Na-2H]- 479.08157 195.9
[M]+ 458.10635 197.5
[M]- 458.10745 197.5
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.