CID 74039602

4,10-dihydroxy-2-oxo-1(5)-guaien-12,6-olide

Structural Information

Molecular Formula
C15H20O5
SMILES
CC1C2CCC(C3=C(C2OC1=O)C(CC3=O)(C)O)(C)O
InChI
InChI=1S/C15H20O5/c1-7-8-4-5-14(2,18)10-9(16)6-15(3,19)11(10)12(8)20-13(7)17/h7-8,12,18-19H,4-6H2,1-3H3
InChIKey
ZSOYDVICJGNUTP-UHFFFAOYSA-N
Compound name
6,9-dihydroxy-3,6,9-trimethyl-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13107 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13835 159.4
[M+Na]+ 303.12029 167.7
[M-H]- 279.12379 164.8
[M+NH4]+ 298.16489 181.5
[M+K]+ 319.09423 166.6
[M+H-H2O]+ 263.12833 157.7
[M+HCOO]- 325.12927 173.7
[M+CH3COO]- 339.14492 197.7
[M+Na-2H]- 301.10574 160.8
[M]+ 280.13052 157.3
[M]- 280.13162 157.3
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.