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]+ 295.190376 172.3
[M+Na]+ 317.172318 177.9
[M-H]- 293.175824 173.1
[M+NH4]+ 312.216923 187.7
[M+K]+ 333.146258 175.3
[M+H-H2O]+ 277.180360 167.7
[M+HCOO]- 339.181301 186.0
[M+CH3COO]- 353.196951 198.8
[M+Na-2H]- 315.157766 173.5
[M]+ 294.18255142 174.1
[M]- 294.18364858 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.