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

42
Patents

222.19836 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 152.8
[M+Na]+ 245.187578 158.7
[M-H]- 221.191084 158.8
[M+NH4]+ 240.232183 178.2
[M+K]+ 261.161518 156.7
[M+H-H2O]+ 205.195620 149.5
[M+HCOO]- 267.196561 167.8
[M+CH3COO]- 281.212211 164.6
[M+Na-2H]- 243.173026 154.7
[M]+ 222.19781142 148.8
[M]- 222.19890858 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