CID 168266072

(2s,9s)-annullatin h

Structural Information

Molecular Formula
C17H26O4
SMILES
CCCC[C@@H](C1=C(C2=C(C[C@H](O2)C(C)(C)O)C=C1)CO)O
InChI
InChI=1S/C17H26O4/c1-4-5-6-14(19)12-8-7-11-9-15(17(2,3)20)21-16(11)13(12)10-18/h7-8,14-15,18-20H,4-6,9-10H2,1-3H3/t14-,15-/m0/s1
InChIKey
RRYGIZGZNVIWNR-GJZGRUSLSA-N
Compound name
(1S)-1-[(2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-6-yl]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1831 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.19038 170.2
[M+Na]+ 317.17232 178.8
[M+NH4]+ 312.21692 176.2
[M+K]+ 333.14626 176.9
[M-H]- 293.17582 170.4
[M+Na-2H]- 315.15777 170.5
[M]+ 294.18255 171.3
[M]- 294.18365 171.3
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

No patent data available for this compound.