CID 21471617

2-methyl-2-(pyrimidin-5-yl)propanoic acid

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

CC(C)(C1=CN=CN=C1)C(=O)O

InChI

InChI=1S/C8H10N2O2/c1-8(2,7(11)12)6-3-9-5-10-4-6/h3-5H,1-2H3,(H,11,12)

InChIKey

LIUJZIMCBYIJIX-UHFFFAOYSA-N

Compound name

2-methyl-2-pyrimidin-5-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 166.07423 Da
Monoisotopic Mass: 0.6
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]+	167.08151	134.6
[M+Na]+	189.06345	146.1
[M+NH4]+	184.10805	141.2
[M+K]+	205.03739	142.2
[M-H]-	165.06695	133.7
[M+Na-2H]-	187.04890	140.6
[M]+	166.07368	135.8
[M]-	166.07478	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe