CID 265740

2,3-dihydroxy-3-phenylpropanoic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
C1=CC=C(C=C1)C(C(C(=O)O)O)O
InChI
InChI=1S/C9H10O4/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,10-11H,(H,12,13)
InChIKey
BNOUUNAFHCJIJD-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

65
Patents

182.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 137.5
[M+Na]+ 205.04712 142.9
[M-H]- 181.05062 137.0
[M+NH4]+ 200.09172 154.8
[M+K]+ 221.02106 141.4
[M+H-H2O]+ 165.05516 132.2
[M+HCOO]- 227.05610 155.6
[M+CH3COO]- 241.07175 173.7
[M+Na-2H]- 203.03257 140.4
[M]+ 182.05735 134.9
[M]- 182.05845 134.9
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