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

124
Patents

264.13617 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 156.5
[M+Na]+ 287.125388 165.0
[M-H]- 263.128894 157.2
[M+NH4]+ 282.169993 171.8
[M+K]+ 303.099328 162.8
[M+H-H2O]+ 247.133430 155.8
[M+HCOO]- 309.134371 172.2
[M+CH3COO]- 323.150021 190.8
[M+Na-2H]- 285.110836 155.5
[M]+ 264.13562142 153.0
[M]- 264.13671858 153.0
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