CID 16098333

605680-47-5

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CC(C)(C(=O)O)OC1=CC=NC=C1

InChI

InChI=1S/C9H11NO3/c1-9(2,8(11)12)13-7-3-5-10-6-4-7/h3-6H,1-2H3,(H,11,12)

InChIKey

CMDYVYQPIMMQCZ-UHFFFAOYSA-N

Compound name

2-methyl-2-pyridin-4-yloxypropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 181.0739 Da
Monoisotopic Mass: 1.0
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	137.7
[M+Na]+	204.06312	148.8
[M+NH4]+	199.10772	144.4
[M+K]+	220.03706	144.9
[M-H]-	180.06662	137.1
[M+Na-2H]-	202.04857	143.5
[M]+	181.07335	138.9
[M]-	181.07445	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe