CID 57483301

Dtxsid101021305

Structural Information

Molecular Formula
C16H26O
SMILES
CC1=CCC(C1(C)C)C23CCCC(C2)(OC3)C
InChI
InChI=1S/C16H26O/c1-12-6-7-13(14(12,2)3)16-9-5-8-15(4,10-16)17-11-16/h6,13H,5,7-11H2,1-4H3
InChIKey
RTIYSHLNESDZSF-UHFFFAOYSA-N
Compound name
5-methyl-1-(2,2,3-trimethylcyclopent-3-en-1-yl)-6-oxabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

234.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 155.5
[M+Na]+ 257.18758 165.1
[M+NH4]+ 252.23218 169.8
[M+K]+ 273.16152 156.3
[M-H]- 233.19108 159.8
[M+Na-2H]- 255.17303 161.9
[M]+ 234.19781 158.6
[M]- 234.19891 158.6
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