CID 157010104

1,10-epoxy-3,8-dihydroxy-4,11(13)-germacradien-12,6-olide

Structural Information

Molecular Formula
C15H20O5
SMILES
C/C/1=C/C2C(C(CC3(C(O3)CC1O)C)O)C(=C)C(=O)O2
InChI
InChI=1S/C15H20O5/c1-7-4-11-13(8(2)14(18)19-11)10(17)6-15(3)12(20-15)5-9(7)16/h4,9-13,16-17H,2,5-6H2,1,3H3/b7-4-
InChIKey
SCDDMRZFVFJIRF-DAXSKMNVSA-N
Compound name
(9Z)-2,8-dihydroxy-4,9-dimethyl-14-methylidene-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13107 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 158.2
[M+Na]+ 303.12029 169.5
[M+NH4]+ 298.16489 166.3
[M+K]+ 319.09423 167.2
[M-H]- 279.12379 167.7
[M+Na-2H]- 301.10574 161.2
[M]+ 280.13052 163.4
[M]- 280.13162 163.4
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

No patent data available for this compound.