CID 131751397

8,12-epoxy-4(15),7,11-eudesmatrien-1-one

Structural Information

Molecular Formula
C15H18O2
SMILES
CC1=COC2=C1CC3C(=C)CCC(=O)C3(C2)C
InChI
InChI=1S/C15H18O2/c1-9-4-5-14(16)15(3)7-13-11(6-12(9)15)10(2)8-17-13/h8,12H,1,4-7H2,2-3H3
InChIKey
AKNPMCISDQNRFC-UHFFFAOYSA-N
Compound name
3,8a-dimethyl-5-methylidene-4a,6,7,9-tetrahydro-4H-benzo[f][1]benzofuran-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.13068 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 152.1
[M+Na]+ 253.11990 164.3
[M+NH4]+ 248.16450 163.2
[M+K]+ 269.09384 157.1
[M-H]- 229.12340 156.1
[M+Na-2H]- 251.10535 155.8
[M]+ 230.13013 155.1
[M]- 230.13123 155.1
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.