CID 46174042

Strigolactone abc-rings

Structural Information

Molecular Formula
C14H18O3
SMILES
CC1(CCCC2=C1[C@@H]3[C@H](C2)/C(=C\O)/C(=O)O3)C
InChI
InChI=1S/C14H18O3/c1-14(2)5-3-4-8-6-9-10(7-15)13(16)17-12(9)11(8)14/h7,9,12,15H,3-6H2,1-2H3/b10-7+/t9-,12+/m1/s1
InChIKey
UTOQMVIHBGIRGU-DTHKZTQTSA-N
Compound name
(3E,3aR,8bS)-3-(hydroxymethylidene)-8,8-dimethyl-3a,4,5,6,7,8b-hexahydroindeno[1,2-b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 152.9
[M+Na]+ 257.11482 162.1
[M+NH4]+ 252.15942 162.8
[M+K]+ 273.08876 158.4
[M-H]- 233.11832 154.8
[M+Na-2H]- 255.10027 153.9
[M]+ 234.12505 154.6
[M]- 234.12615 154.6
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

No patent data available for this compound.