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
4
Annotation Hits

0
References

361
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 151.7
[M+Na]+ 243.171928 162.4
[M-H]- 219.175434 158.3
[M+NH4]+ 238.216533 176.5
[M+K]+ 259.145868 159.9
[M+H-H2O]+ 203.179970 148.8
[M+HCOO]- 265.180911 165.0
[M+CH3COO]- 279.196561 164.6
[M+Na-2H]- 241.157376 156.5
[M]+ 220.18216142 155.4
[M]- 220.18325858 155.4
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