CID 107116

2'-(3-cyclohexen-1-yl)spiro(bicyclo(2.2.1)hept-5-ene-2,5'-(1,3)dioxane)

Structural Information

Molecular Formula
C16H22O2
SMILES
C1CC(CC=C1)C2OCC3(CC4CC3C=C4)CO2
InChI
InChI=1S/C16H22O2/c1-2-4-13(5-3-1)15-17-10-16(11-18-15)9-12-6-7-14(16)8-12/h1-2,6-7,12-15H,3-5,8-11H2
InChIKey
QOGIYRYXUVTOQX-UHFFFAOYSA-N
Compound name
2-cyclohex-3-en-1-ylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.169266 156.7
[M+Na]+ 269.151208 161.2
[M-H]- 245.154714 164.9
[M+NH4]+ 264.195813 178.2
[M+K]+ 285.125148 159.6
[M+H-H2O]+ 229.159250 151.2
[M+HCOO]- 291.160191 171.4
[M+CH3COO]- 305.175841 168.1
[M+Na-2H]- 267.136656 159.3
[M]+ 246.16144142 151.6
[M]- 246.16253858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.