CID 73557080

102083-79-4

Structural Information

Molecular Formula
C13H14O6
SMILES
CC1CC2C(CC1C3CC(=O)OC3=O)C(=O)OC2=O
InChI
InChI=1S/C13H14O6/c1-5-2-7-8(13(17)19-12(7)16)3-6(5)9-4-10(14)18-11(9)15/h5-9H,2-4H2,1H3
InChIKey
XPOYFTQNGYEDRD-UHFFFAOYSA-N
Compound name
5-(2,5-dioxooxolan-3-yl)-6-methyl-3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

266.07904 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08632 156.0
[M+Na]+ 289.06826 164.6
[M+NH4]+ 284.11286 162.3
[M+K]+ 305.04220 165.4
[M-H]- 265.07176 159.2
[M+Na-2H]- 287.05371 154.9
[M]+ 266.07849 157.6
[M]- 266.07959 157.6
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

patents stripe