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]+ 281.138346 155.3
[M+Na]+ 303.120288 166.1
[M-H]- 279.123794 158.4
[M+NH4]+ 298.164893 166.9
[M+K]+ 319.094228 165.2
[M+H-H2O]+ 263.128330 156.2
[M+HCOO]- 325.129271 167.5
[M+CH3COO]- 339.144921 196.4
[M+Na-2H]- 301.105736 158.0
[M]+ 280.13052142 157.4
[M]- 280.13161858 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.