CID 56842964

85721-29-5

Structural Information

Molecular Formula
C15H22O
SMILES
CC12CC3C4CC(C3CC1O2)CC4CC=C
InChI
InChI=1S/C15H22O/c1-3-4-9-5-10-6-11(9)13-8-15(2)14(16-15)7-12(10)13/h3,9-14H,1,4-8H2,2H3
InChIKey
FUMIEXJMOTUCGS-UHFFFAOYSA-N
Compound name
4-methyl-11-prop-2-enyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 152.9
[M+Na]+ 241.156288 162.5
[M-H]- 217.159794 158.2
[M+NH4]+ 236.200893 174.3
[M+K]+ 257.130228 158.0
[M+H-H2O]+ 201.164330 149.0
[M+HCOO]- 263.165271 166.8
[M+CH3COO]- 277.180921 164.9
[M+Na-2H]- 239.141736 155.9
[M]+ 218.16652142 154.9
[M]- 218.16761858 154.9
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

No patent data available for this compound.