CID 11492496

(8e)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one

Structural Information

Molecular Formula
C15H18O3
SMILES
C/C/1=C\CCC2(C(O2)C(=O)C3=C(C1)OC=C3C)C
InChI
InChI=1S/C15H18O3/c1-9-5-4-6-15(3)14(18-15)13(16)12-10(2)8-17-11(12)7-9/h5,8,14H,4,6-7H2,1-3H3/b9-5+
InChIKey
CVIVANCKIBYAOP-WEVVVXLNSA-N
Compound name
(8E)-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

246.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 148.1
[M+Na]+ 269.11482 160.0
[M-H]- 245.11832 154.0
[M+NH4]+ 264.15942 162.3
[M+K]+ 285.08876 160.6
[M+H-H2O]+ 229.12286 147.6
[M+HCOO]- 291.12380 165.9
[M+CH3COO]- 305.13945 161.3
[M+Na-2H]- 267.10027 153.9
[M]+ 246.12505 153.0
[M]- 246.12615 153.0
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

patents stripe