CID 14543235

Bisacurone epoxide

Structural Information

Molecular Formula
C15H24O4
SMILES
CC(CC(=O)C=C(C)C)C1CC(C(C2C1O2)(C)O)O
InChI
InChI=1S/C15H24O4/c1-8(2)5-10(16)6-9(3)11-7-12(17)15(4,18)14-13(11)19-14/h5,9,11-14,17-18H,6-7H2,1-4H3
InChIKey
YFDIAFVTFRYMNI-UHFFFAOYSA-N
Compound name
6-(4,5-dihydroxy-5-methyl-7-oxabicyclo[4.1.0]heptan-2-yl)-2-methylhept-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.16745 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 161.0
[M+Na]+ 291.15667 168.4
[M-H]- 267.16017 164.0
[M+NH4]+ 286.20127 173.6
[M+K]+ 307.13061 166.3
[M+H-H2O]+ 251.16471 157.0
[M+HCOO]- 313.16565 173.1
[M+CH3COO]- 327.18130 199.9
[M+Na-2H]- 289.14212 161.5
[M]+ 268.16690 164.2
[M]- 268.16800 164.2
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.