CID 110692

2-phenylglyceric acid

Structural Information

Molecular Formula
C9H10O4
SMILES
C1=CC=C(C=C1)C(CO)(C(=O)O)O
InChI
InChI=1S/C9H10O4/c10-6-9(13,8(11)12)7-4-2-1-3-5-7/h1-5,10,13H,6H2,(H,11,12)
InChIKey
IWEPXSFVSUOTLW-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-2-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

227
Patents

182.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 137.0
[M+Na]+ 205.047118 143.3
[M-H]- 181.050624 136.6
[M+NH4]+ 200.091723 154.5
[M+K]+ 221.021058 141.2
[M+H-H2O]+ 165.055160 132.2
[M+HCOO]- 227.056101 155.5
[M+CH3COO]- 241.071751 172.1
[M+Na-2H]- 203.032566 143.2
[M]+ 182.05735142 135.2
[M]- 182.05844858 135.2
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