CID 110757

1h-cyclopenta[1,2-c:3,4-c']difuran-1,3,4,6(3ah)-tetrone, tetrahydro-

Structural Information

Molecular Formula
C9H6O6
SMILES
C1C2C(C3C1C(=O)OC3=O)C(=O)OC2=O
InChI
InChI=1S/C9H6O6/c10-6-2-1-3-5(4(2)8(12)14-6)9(13)15-7(3)11/h2-5H,1H2
InChIKey
NLWBEORDOPDUPM-UHFFFAOYSA-N
Compound name
4,10-dioxatricyclo[6.3.0.02,6]undecane-3,5,9,11-tetrone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3146
Patents

210.01643 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.023706 136.9
[M+Na]+ 233.005648 147.7
[M-H]- 209.009154 144.5
[M+NH4]+ 228.050253 160.6
[M+K]+ 248.979588 147.9
[M+H-H2O]+ 193.013690 136.3
[M+HCOO]- 255.014631 157.4
[M+CH3COO]- 269.030281 184.8
[M+Na-2H]- 230.991096 139.3
[M]+ 210.01588142 140.1
[M]- 210.01697858 140.1
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