CID 88024514

3,4-hexanofuran-2,5-dione

Structural Information

Molecular Formula
C10H12O3
SMILES
C1CCCC2=C(CC1)C(=O)OC2=O
InChI
InChI=1S/C10H12O3/c11-9-7-5-3-1-2-4-6-8(7)10(12)13-9/h1-6H2
InChIKey
TYHJNFNJPLZGIM-UHFFFAOYSA-N
Compound name
4,5,6,7,8,9-hexahydrocycloocta[c]furan-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

180.07864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 152.4
[M+Na]+ 203.06786 157.5
[M-H]- 179.07136 154.9
[M+NH4]+ 198.11246 162.1
[M+K]+ 219.04180 158.1
[M+H-H2O]+ 163.07590 149.2
[M+HCOO]- 225.07684 161.3
[M+CH3COO]- 239.09249 220.5
[M+Na-2H]- 201.05331 152.2
[M]+ 180.07809 151.6
[M]- 180.07919 151.6
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