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 170.6
[M+Na]+ 315.15667 176.9
[M-H]- 291.16017 172.9
[M+NH4]+ 310.20127 186.7
[M+K]+ 331.13061 174.5
[M+H-H2O]+ 275.16471 165.9
[M+HCOO]- 337.16565 186.1
[M+CH3COO]- 351.18130 200.3
[M+Na-2H]- 313.14212 172.3
[M]+ 292.16690 173.5
[M]- 292.16800 173.5
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.