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 155.3
[M+Na]+ 303.12029 166.1
[M-H]- 279.12379 158.4
[M+NH4]+ 298.16489 166.9
[M+K]+ 319.09423 165.2
[M+H-H2O]+ 263.12833 156.2
[M+HCOO]- 325.12927 167.5
[M+CH3COO]- 339.14492 196.4
[M+Na-2H]- 301.10574 158.0
[M]+ 280.13052 157.4
[M]- 280.13162 157.4
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.