CID 380688

Nsc666391

Structural Information

Molecular Formula
C10H12O3
SMILES
C1C2CC3(C1C=C2)COC(=O)OC3
InChI
InChI=1S/C10H12O3/c11-9-12-5-10(6-13-9)4-7-1-2-8(10)3-7/h1-2,7-8H,3-6H2
InChIKey
HBXYDGAJYSCVRY-UHFFFAOYSA-N
Compound name
spiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 135.1
[M+Na]+ 203.06786 142.9
[M-H]- 179.07136 141.3
[M+NH4]+ 198.11246 159.8
[M+K]+ 219.04180 142.9
[M+H-H2O]+ 163.07590 131.7
[M+HCOO]- 225.07684 153.6
[M+CH3COO]- 239.09249 149.2
[M+Na-2H]- 201.05331 141.8
[M]+ 180.07809 134.2
[M]- 180.07919 134.2
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

No patent data available for this compound.