CID 25265919

12,13-dimethyl-5,14-dioxabicyclo[9.2.1]-tetradeca-1(13),11-dien-4-one

Structural Information

Molecular Formula
C14H20O3
SMILES
CC1=C2CCCCCOC(=O)CCC(=C1C)O2
InChI
InChI=1S/C14H20O3/c1-10-11(2)13-7-8-14(15)16-9-5-3-4-6-12(10)17-13/h3-9H2,1-2H3
InChIKey
WLZAQMWDLSAMIH-UHFFFAOYSA-N
Compound name
12,13-dimethyl-5,14-dioxabicyclo[9.2.1]tetradeca-1(13),11-dien-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

236.14125 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14853 150.1
[M+Na]+ 259.13047 157.1
[M-H]- 235.13397 152.4
[M+NH4]+ 254.17507 166.4
[M+K]+ 275.10441 157.9
[M+H-H2O]+ 219.13851 149.1
[M+HCOO]- 281.13945 166.8
[M+CH3COO]- 295.15510 186.8
[M+Na-2H]- 257.11592 153.6
[M]+ 236.14070 148.1
[M]- 236.14180 148.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.