CID 102579

1209-61-6

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2C(O2)(CCC3C1CC3(C)C)C
InChI
InChI=1S/C15H26O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h10-13H,5-9H2,1-4H3
InChIKey
RBQQAPZKUGJMCR-UHFFFAOYSA-N
Compound name
4,9,12,12-tetramethyl-5-oxatricyclo[8.2.0.04,6]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

56
Patents

222.19836 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 148.6
[M+Na]+ 245.18758 150.3
[M+NH4]+ 240.23218 150.4
[M+K]+ 261.16152 150.5
[M-H]- 221.19108 150.1
[M+Na-2H]- 243.17303 151.1
[M]+ 222.19781 149.4
[M]- 222.19891 149.4
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