CID 54676475

78128-85-5

Structural Information

Molecular Formula
C13H14O3
SMILES
C1C(=C(C(=O)O1)CCCC2=CC=CC=C2)O
InChI
InChI=1S/C13H14O3/c14-12-9-16-13(15)11(12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,14H,4,7-9H2
InChIKey
CNYGDWQUBNSOAR-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(3-phenylpropyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.0943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.10158 148.0
[M+Na]+ 241.08352 160.4
[M+NH4]+ 236.12812 156.0
[M+K]+ 257.05746 155.9
[M-H]- 217.08702 152.1
[M+Na-2H]- 239.06897 154.1
[M]+ 218.09375 150.8
[M]- 218.09485 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.