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

51
Patents

234.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 155.3
[M+Na]+ 257.187578 162.8
[M-H]- 233.191084 161.9
[M+NH4]+ 252.232183 183.1
[M+K]+ 273.161518 160.2
[M+H-H2O]+ 217.195620 151.4
[M+HCOO]- 279.196561 172.3
[M+CH3COO]- 293.212211 168.1
[M+Na-2H]- 255.173026 158.9
[M]+ 234.19781142 154.0
[M]- 234.19890858 154.0
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