CID 106528

3-furancarboxylic acid, 5-(phenylmethyl)-, 2-hydroxyethyl ester

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
2
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]+ 247.096476 154.2
[M+Na]+ 269.078418 161.2
[M-H]- 245.081924 160.4
[M+NH4]+ 264.123023 171.1
[M+K]+ 285.052358 159.7
[M+H-H2O]+ 229.086460 147.6
[M+HCOO]- 291.087401 177.1
[M+CH3COO]- 305.103051 188.0
[M+Na-2H]- 267.063866 158.3
[M]+ 246.08865142 157.6
[M]- 246.08974858 157.6
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.