CID 13062431

34989-52-1

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC2(CC3C1O3)OCCO2
InChI
InChI=1S/C8H12O3/c1-2-8(9-3-4-10-8)5-7-6(1)11-7/h6-7H,1-5H2
InChIKey
ITIXASMVRIYQAP-UHFFFAOYSA-N
Compound name
spiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

156.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 130.5
[M+Na]+ 179.06786 139.3
[M-H]- 155.07136 139.3
[M+NH4]+ 174.11246 147.4
[M+K]+ 195.04180 142.1
[M+H-H2O]+ 139.07590 125.8
[M+HCOO]- 201.07684 147.0
[M+CH3COO]- 215.09249 144.4
[M+Na-2H]- 177.05331 140.1
[M]+ 156.07809 132.4
[M]- 156.07919 132.4
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