CID 45598116

1039547-74-4

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC(C)(C1=CC=CC=N1)C(=O)O

InChI

InChI=1S/C9H11NO2/c1-9(2,8(11)12)7-5-3-4-6-10-7/h3-6H,1-2H3,(H,11,12)

InChIKey

SSUAULNKNQTVOL-UHFFFAOYSA-N

Compound name

2-methyl-2-pyridin-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 165.07898 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]+	166.08626	134.8
[M+Na]+	188.06820	146.4
[M+NH4]+	183.11280	142.1
[M+K]+	204.04214	141.9
[M-H]-	164.07170	134.7
[M+Na-2H]-	186.05365	141.1
[M]+	165.07843	136.3
[M]-	165.07953	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe