CID 196711

115077-66-2

Structural Information

Molecular Formula
C11H10O4
SMILES
C1CC2(CC3(O2)C=CC(=O)C=C3)OC1=O
InChI
InChI=1S/C11H10O4/c12-8-1-4-10(5-2-8)7-11(15-10)6-3-9(13)14-11/h1-2,4-5H,3,6-7H2
InChIKey
CAZSBBDSSNQJGI-UHFFFAOYSA-N
Compound name
4,13-dioxadispiro[4.1.57.15]trideca-8,11-diene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

206.0579 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 130.5
[M+Na]+ 229.04712 138.1
[M-H]- 205.05062 140.1
[M+NH4]+ 224.09172 146.7
[M+K]+ 245.02106 141.4
[M+H-H2O]+ 189.05516 122.4
[M+HCOO]- 251.05610 150.1
[M+CH3COO]- 265.07175 183.6
[M+Na-2H]- 227.03257 139.5
[M]+ 206.05735 139.2
[M]- 206.05845 139.2
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