CID 13782871

1820-50-4

Structural Information

Molecular Formula
C15H22O2
SMILES
C1CC(CC=C1)C2OCC3(CCC=CC3)CO2
InChI
InChI=1S/C15H22O2/c1-3-7-13(8-4-1)14-16-11-15(12-17-14)9-5-2-6-10-15/h1-3,5,13-14H,4,6-12H2
InChIKey
GGKXOBDOBZUKPG-UHFFFAOYSA-N
Compound name
3-cyclohex-3-en-1-yl-2,4-dioxaspiro[5.5]undec-9-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

234.16199 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.169266 155.2
[M+Na]+ 257.151208 157.4
[M-H]- 233.154714 163.2
[M+NH4]+ 252.195813 171.5
[M+K]+ 273.125148 157.2
[M+H-H2O]+ 217.159250 147.2
[M+HCOO]- 279.160191 169.1
[M+CH3COO]- 293.175841 165.6
[M+Na-2H]- 255.136656 161.0
[M]+ 234.16144142 147.0
[M]- 234.16253858 147.0
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