CID 73817713

Dtxsid701149989

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1(CCC=C2C13CCC(O3)(OC2)C)C
InChI
InChI=1S/C13H20O2/c1-11(2)6-4-5-10-9-14-12(3)7-8-13(10,11)15-12/h5H,4,6-9H2,1-3H3
InChIKey
AKKNWGRLXKHQDH-UHFFFAOYSA-N
Compound name
2,2,9-trimethyl-8,12-dioxatricyclo[7.2.1.01,6]dodec-5-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.14633 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.15361 146.3
[M+Na]+ 231.13555 157.2
[M+NH4]+ 226.18015 160.8
[M+K]+ 247.10949 147.3
[M-H]- 207.13905 151.2
[M+Na-2H]- 229.12100 152.4
[M]+ 208.14578 149.8
[M]- 208.14688 149.8
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