CID 106528

2-hydroxyethyl 5-(phenylmethyl)furoate

Structural Information

Molecular Formula
C14H14O4
SMILES
C1=CC=C(C=C1)CC2=CC(=CO2)C(=O)OCCO
InChI
InChI=1S/C14H14O4/c15-6-7-17-14(16)12-9-13(18-10-12)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8H2
InChIKey
KMKHHIPWSMEPRR-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 5-benzylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.0892 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 154.9
[M+Na]+ 269.07842 166.8
[M+NH4]+ 264.12302 162.1
[M+K]+ 285.05236 163.0
[M-H]- 245.08192 158.4
[M+Na-2H]- 267.06387 161.0
[M]+ 246.08865 157.4
[M]- 246.08975 157.4
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.