CID 82417173

Lithium(1+) 2-(pyrimidin-4-yl)propanoate

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

InChI=1S/C7H8N2O2/c1-5(7(10)11)6-2-3-8-4-9-6/h2-5H,1H3,(H,10,11)

InChIKey

HPKUAJLOFBADQG-UHFFFAOYSA-N

Compound name

2-pyrimidin-4-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.05858 Da
Monoisotopic Mass: 0.3
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]+	153.06586	129.7
[M+Na]+	175.04780	137.3
[M-H]-	151.05130	129.4
[M+NH4]+	170.09240	147.2
[M+K]+	191.02174	136.1
[M+H-H2O]+	135.05584	122.8
[M+HCOO]-	197.05678	149.5
[M+CH3COO]-	211.07243	172.9
[M+Na-2H]-	173.03325	136.2
[M]+	152.05803	129.0
[M]-	152.05913	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe