CID 5281497

Ridentin

Structural Information

Molecular Formula
C15H20O4
SMILES
C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](C[C@@H]1O)O)C(=C)C(=O)O2
InChI
InChI=1S/C15H20O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,11-14,16-17H,1,3-5,7H2,2H3/b9-6+/t11-,12+,13-,14+/m0/s1
InChIKey
KQCHEWVHXSAJIA-RNFGUGDUSA-N
Compound name
(3aS,7R,9S,10E,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

264.13617 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 156.9
[M+Na]+ 287.125388 164.8
[M-H]- 263.128894 157.2
[M+NH4]+ 282.169993 172.0
[M+K]+ 303.099328 162.0
[M+H-H2O]+ 247.133430 156.4
[M+HCOO]- 309.134371 171.3
[M+CH3COO]- 323.150021 190.5
[M+Na-2H]- 285.110836 155.1
[M]+ 264.13562142 151.3
[M]- 264.13671858 151.3
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

patents stripe