CID 58580309

1418115-02-2

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC2C3C(C1C24CC4)C(=O)OC3=O
InChI
InChI=1S/C11H12O3/c12-9-7-5-1-2-6(11(5)3-4-11)8(7)10(13)14-9/h5-8H,1-4H2
InChIKey
FJWIIGXUELDWEY-UHFFFAOYSA-N
Compound name
spiro[4-oxatricyclo[5.2.1.02,6]decane-10,1'-cyclopropane]-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.0
[M+Na]+ 215.06786 151.5
[M-H]- 191.07136 148.4
[M+NH4]+ 210.11246 162.9
[M+K]+ 231.04180 148.3
[M+H-H2O]+ 175.07590 138.0
[M+HCOO]- 237.07684 158.4
[M+CH3COO]- 251.09249 154.3
[M+Na-2H]- 213.05331 143.1
[M]+ 192.07809 143.5
[M]- 192.07919 143.5
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