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]+ 193.085916 140.0
[M+Na]+ 215.067858 151.5
[M-H]- 191.071364 148.4
[M+NH4]+ 210.112463 162.9
[M+K]+ 231.041798 148.3
[M+H-H2O]+ 175.075900 138.0
[M+HCOO]- 237.076841 158.4
[M+CH3COO]- 251.092491 154.3
[M+Na-2H]- 213.053306 143.1
[M]+ 192.07809142 143.5
[M]- 192.07918858 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