CID 428883

4'-oxaspiro[cyclopropane-1,10'-tricyclo[5.2.1.0,2,6]decan]-8'-ene-3',5'-dione

Structural Information

Molecular Formula
C11H10O3
SMILES
C1CC12C3C=CC2C4C3C(=O)OC4=O
InChI
InChI=1S/C11H10O3/c12-9-7-5-1-2-6(11(5)3-4-11)8(7)10(13)14-9/h1-2,5-8H,3-4H2
InChIKey
KPGJKBBMROFHML-UHFFFAOYSA-N
Compound name
spiro[4-oxatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

190.06299 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 138.3
[M+Na]+ 213.05221 150.7
[M-H]- 189.05571 147.1
[M+NH4]+ 208.09681 161.4
[M+K]+ 229.02615 147.5
[M+H-H2O]+ 173.06025 136.3
[M+HCOO]- 235.06119 158.2
[M+CH3COO]- 249.07684 153.2
[M+Na-2H]- 211.03766 142.3
[M]+ 190.06244 143.2
[M]- 190.06354 143.2
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