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
2
Annotation Hits

0
References

116
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 153.9
[M+Na]+ 289.06826 162.2
[M-H]- 265.07176 163.0
[M+NH4]+ 284.11286 172.6
[M+K]+ 305.04220 161.9
[M+H-H2O]+ 249.07630 150.8
[M+HCOO]- 311.07724 171.2
[M+CH3COO]- 325.09289 196.5
[M+Na-2H]- 287.05371 153.4
[M]+ 266.07849 154.1
[M]- 266.07959 154.1
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