CID 11298319

Schembl5421055

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

182.0579 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 136.8
[M+Na]+ 205.047118 142.9
[M-H]- 181.050624 137.6
[M+NH4]+ 200.091723 154.9
[M+K]+ 221.021058 141.7
[M+H-H2O]+ 165.055160 131.2
[M+HCOO]- 227.056101 157.5
[M+CH3COO]- 241.071751 175.1
[M+Na-2H]- 203.032566 141.5
[M]+ 182.05735142 136.7
[M]- 182.05844858 136.7
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