CID 102992

3388-02-1

Structural Information

Molecular Formula
C11H16O3
SMILES
C=CC1OCC2(CCC3C(C2)O3)CO1
InChI
InChI=1S/C11H16O3/c1-2-10-12-6-11(7-13-10)4-3-8-9(5-11)14-8/h2,8-10H,1,3-7H2
InChIKey
BRGMVDIKNKICJS-UHFFFAOYSA-N
Compound name
2-ethenylspiro[1,3-dioxane-5,3'-7-oxabicyclo[4.1.0]heptane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 144.3
[M+Na]+ 219.099158 152.2
[M-H]- 195.102664 152.9
[M+NH4]+ 214.143763 158.1
[M+K]+ 235.073098 154.3
[M+H-H2O]+ 179.107200 138.0
[M+HCOO]- 241.108141 158.2
[M+CH3COO]- 255.123791 156.6
[M+Na-2H]- 217.084606 153.1
[M]+ 196.10939142 144.9
[M]- 196.11048858 144.9
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