CID 168266075

(2r)-annullatin f

Structural Information

Molecular Formula
C17H24O4
SMILES
CCCCC(=O)C1=C(C2=C(C[C@@H](O2)C(C)(C)O)C=C1)CO
InChI
InChI=1S/C17H24O4/c1-4-5-6-14(19)12-8-7-11-9-15(17(2,3)20)21-16(11)13(12)10-18/h7-8,15,18,20H,4-6,9-10H2,1-3H3/t15-/m1/s1
InChIKey
UFNSFUHAWJHSPD-OAHLLOKOSA-N
Compound name
1-[(2R)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 169.0
[M+Na]+ 315.15667 178.1
[M+NH4]+ 310.20127 175.1
[M+K]+ 331.13061 175.9
[M-H]- 291.16017 169.4
[M+Na-2H]- 313.14212 169.7
[M]+ 292.16690 170.2
[M]- 292.16800 170.2
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.