CID 14466150

Tavulin

Structural Information

Molecular Formula
C15H20O4
SMILES
C/C/1=C\C(C2C(/C=C(/C(CC1)O)\C)OC(=O)C2=C)O
InChI
InChI=1S/C15H20O4/c1-8-4-5-11(16)9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h6-7,11-14,16-17H,3-5H2,1-2H3/b8-6+,9-7+
InChIKey
YMNZWKHEJQGPIA-CDJQDVQCSA-N
Compound name
(5E,10E)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

264.13617 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 158.3
[M+Na]+ 287.12539 168.3
[M+NH4]+ 282.16999 164.1
[M+K]+ 303.09933 165.6
[M-H]- 263.12889 159.7
[M+Na-2H]- 285.11084 158.7
[M]+ 264.13562 159.6
[M]- 264.13672 159.6
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

patents stripe