CID 16098333

2-methyl-2-(pyridin-4-yloxy)propanoic acid

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	137.4
[M+Na]+	204.06312	144.7
[M-H]-	180.06662	138.4
[M+NH4]+	199.10772	155.2
[M+K]+	220.03706	143.7
[M+H-H2O]+	164.07116	131.4
[M+HCOO]-	226.07210	157.5
[M+CH3COO]-	240.08775	177.6
[M+Na-2H]-	202.04857	144.7
[M]+	181.07335	138.4
[M]-	181.07445	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe