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

252
Patents

236.17763 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 154.5
[M+Na]+ 259.16685 158.0
[M-H]- 235.17035 155.4
[M+NH4]+ 254.21145 176.1
[M+K]+ 275.14079 157.6
[M+H-H2O]+ 219.17489 150.0
[M+HCOO]- 281.17583 162.9
[M+CH3COO]- 295.19148 164.8
[M+Na-2H]- 257.15230 160.0
[M]+ 236.17708 156.5
[M]- 236.17818 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