CID 179741

94050-90-5

Structural Information

Molecular Formula

C₉H₁₀O₄

SMILES

C[C@H](C(=O)O)OC1=CC=C(C=C1)O

InChI

InChI=1S/C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,10H,1H3,(H,11,12)/t6-/m1/s1

InChIKey

AQIHDXGKQHFBNW-ZCFIWIBFSA-N

Compound name

(2R)-2-(4-hydroxyphenoxy)propanoic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 1489
Patents: 182.0579 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	183.065176	136.1
[M+Na]+	205.047118	143.1
[M-H]-	181.050624	137.3
[M+NH4]+	200.091723	154.5
[M+K]+	221.021058	141.9
[M+H-H2O]+	165.055160	130.7
[M+HCOO]-	227.056101	156.7
[M+CH3COO]-	241.071751	176.3
[M+Na-2H]-	203.032566	140.1
[M]+	182.05735142	136.4
[M]-	182.05844858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe