CID 12302135

Guaioxide

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2CC3(C1CCC3C)OC2(C)C
InChI
InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3
InChIKey
GXMJXGUEPXEOGR-UHFFFAOYSA-N
Compound name
2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

222.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 147.7
[M+Na]+ 245.18758 154.9
[M+NH4]+ 240.23218 159.5
[M+K]+ 261.16152 150.4
[M-H]- 221.19108 150.3
[M+Na-2H]- 243.17303 150.7
[M]+ 222.19781 149.7
[M]- 222.19891 149.7
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