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
2
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 155.3
[M+Na]+ 257.18758 162.8
[M-H]- 233.19108 161.9
[M+NH4]+ 252.23218 183.1
[M+K]+ 273.16152 160.2
[M+H-H2O]+ 217.19562 151.4
[M+HCOO]- 279.19656 172.3
[M+CH3COO]- 293.21221 168.1
[M+Na-2H]- 255.17303 158.9
[M]+ 234.19781 154.0
[M]- 234.19891 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