CID 111418

Einecs 272-669-9

Structural Information

Molecular Formula
C15H24O2
SMILES
CC1=CC2CC(C1CC2C(C)C)C3OCCO3
InChI
InChI=1S/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3
InChIKey
QSWPBUXWYKVPMT-UHFFFAOYSA-N
Compound name
2-(6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

235
Patents

236.17763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 154.5
[M+Na]+ 259.166848 158.0
[M-H]- 235.170354 155.4
[M+NH4]+ 254.211453 176.1
[M+K]+ 275.140788 157.6
[M+H-H2O]+ 219.174890 150.0
[M+HCOO]- 281.175831 162.9
[M+CH3COO]- 295.191481 164.8
[M+Na-2H]- 257.152296 160.0
[M]+ 236.17708142 156.5
[M]- 236.17817858 156.5
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