CID 122510

Alpha-cedrene epoxide

Structural Information

Molecular Formula
C15H24O
SMILES
CC1CCC2C13CC(C2(C)C)C4(C(C3)O4)C
InChI
InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3
InChIKey
HZRFVTRTTXBHSE-UHFFFAOYSA-N
Compound name
2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

337
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.0
[M+Na]+ 243.17193 163.6
[M+NH4]+ 238.21653 167.6
[M+K]+ 259.14587 156.5
[M-H]- 219.17543 162.7
[M+Na-2H]- 241.15738 158.6
[M]+ 220.18216 158.5
[M]- 220.18326 158.5
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