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

0
Patents

208.14633 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 144.4
[M+Na]+ 231.135548 152.0
[M-H]- 207.139054 149.8
[M+NH4]+ 226.180153 170.5
[M+K]+ 247.109488 151.8
[M+H-H2O]+ 191.143590 139.7
[M+HCOO]- 253.144531 159.3
[M+CH3COO]- 267.160181 157.5
[M+Na-2H]- 229.120996 153.5
[M]+ 208.14578142 144.2
[M]- 208.14687858 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