CID 17760165

Methyl 2-(4-aminophenyl)-2-hydroxyacetate

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

COC(=O)C(C1=CC=C(C=C1)N)O

InChI

InChI=1S/C9H11NO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,11H,10H2,1H3

InChIKey

GAMGLCCWIJAQFS-UHFFFAOYSA-N

Compound name

methyl 2-(4-aminophenyl)-2-hydroxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 181.0739 Da
Monoisotopic Mass: 0.5
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]+	182.08118	137.9
[M+Na]+	204.06312	148.1
[M+NH4]+	199.10772	144.9
[M+K]+	220.03706	144.3
[M-H]-	180.06662	138.7
[M+Na-2H]-	202.04857	142.8
[M]+	181.07335	139.2
[M]-	181.07445	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe