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 152.8
[M+Na]+ 245.18758 158.7
[M-H]- 221.19108 158.8
[M+NH4]+ 240.23218 178.2
[M+K]+ 261.16152 156.7
[M+H-H2O]+ 205.19562 149.5
[M+HCOO]- 267.19656 167.8
[M+CH3COO]- 281.21221 164.6
[M+Na-2H]- 243.17303 154.7
[M]+ 222.19781 148.8
[M]- 222.19891 148.8
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