CID 54678489

3-benzyl-4-hydroxy-2(5h)furanone

Structural Information

Molecular Formula
C11H10O3
SMILES
C1C(=C(C(=O)O1)CC2=CC=CC=C2)O
InChI
InChI=1S/C11H10O3/c12-10-7-14-11(13)9(10)6-8-4-2-1-3-5-8/h1-5,12H,6-7H2
InChIKey
BXEIAIJHNZRHPQ-UHFFFAOYSA-N
Compound name
4-benzyl-3-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

190.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07027 138.8
[M+Na]+ 213.05221 151.7
[M+NH4]+ 208.09681 147.2
[M+K]+ 229.02615 147.7
[M-H]- 189.05571 143.1
[M+Na-2H]- 211.03766 145.6
[M]+ 190.06244 141.8
[M]- 190.06354 141.8
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

patents stripe