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 172.3
[M+Na]+ 317.17232 177.9
[M-H]- 293.17582 173.1
[M+NH4]+ 312.21692 187.7
[M+K]+ 333.14626 175.3
[M+H-H2O]+ 277.18036 167.7
[M+HCOO]- 339.18130 186.0
[M+CH3COO]- 353.19695 198.8
[M+Na-2H]- 315.15777 173.5
[M]+ 294.18255 174.1
[M]- 294.18365 174.1
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.