CID 17750931

3-(pyrazin-2-yl)propanoic acid

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1=CN=C(C=N1)CCC(=O)O

InChI

InChI=1S/C7H8N2O2/c10-7(11)2-1-6-5-8-3-4-9-6/h3-5H,1-2H2,(H,10,11)

InChIKey

CLZBRIBNISBKMK-UHFFFAOYSA-N

Compound name

3-pyrazin-2-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
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	130.4
[M+Na]+	175.04780	142.5
[M+NH4]+	170.09240	137.3
[M+K]+	191.02174	137.4
[M-H]-	151.05130	130.1
[M+Na-2H]-	173.03325	136.7
[M]+	152.05803	131.7
[M]-	152.05913	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe