CID 3088964

2-furanpropanoic acid, beta-hydroxy-alpha-phenyl-, (r*,r*)-(+)-

Structural Information

Molecular Formula
C13H12O4
SMILES
C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CO2)O)C(=O)O
InChI
InChI=1S/C13H12O4/c14-12(10-7-4-8-17-10)11(13(15)16)9-5-2-1-3-6-9/h1-8,11-12,14H,(H,15,16)/t11-,12+/m1/s1
InChIKey
ZFLMKKDXXLZURV-NEPJUHHUSA-N
Compound name
(2R,3R)-3-(furan-2-yl)-3-hydroxy-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 150.9
[M+Na]+ 255.062778 156.2
[M-H]- 231.066284 155.6
[M+NH4]+ 250.107383 167.0
[M+K]+ 271.036718 155.1
[M+H-H2O]+ 215.070820 144.7
[M+HCOO]- 277.071761 170.5
[M+CH3COO]- 291.087411 183.9
[M+Na-2H]- 253.048226 153.3
[M]+ 232.07301142 150.5
[M]- 232.07410858 150.5
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.