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 144.4
[M+Na]+ 231.13555 152.0
[M-H]- 207.13905 149.8
[M+NH4]+ 226.18015 170.5
[M+K]+ 247.10949 151.8
[M+H-H2O]+ 191.14359 139.7
[M+HCOO]- 253.14453 159.3
[M+CH3COO]- 267.16018 157.5
[M+Na-2H]- 229.12100 153.5
[M]+ 208.14578 144.2
[M]- 208.14688 144.2
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