CID 62490683

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

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

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

InChIKey

SPIUQKSCPNMXLB-UHFFFAOYSA-N

Compound name

2-pyrimidin-5-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 152.05858 Da
Monoisotopic Mass: 0.2
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	130.2
[M+Na]+	175.04780	142.0
[M+NH4]+	170.09240	137.1
[M+K]+	191.02174	137.8
[M-H]-	151.05130	129.8
[M+Na-2H]-	173.03325	136.2
[M]+	152.05803	131.5
[M]-	152.05913	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe