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]+ 293.174726 170.6
[M+Na]+ 315.156668 176.9
[M-H]- 291.160174 172.9
[M+NH4]+ 310.201273 186.7
[M+K]+ 331.130608 174.5
[M+H-H2O]+ 275.164710 165.9
[M+HCOO]- 337.165651 186.1
[M+CH3COO]- 351.181301 200.3
[M+Na-2H]- 313.142116 172.3
[M]+ 292.16690142 173.5
[M]- 292.16799858 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.