CID 16065103

930798-25-7

Structural Information

Molecular Formula

C₆H₅ClN₂O₂

SMILES

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

InChI

InChI=1S/C6H5ClN2O2/c7-5-3-8-2-4(9-5)1-6(10)11/h2-3H,1H2,(H,10,11)

InChIKey

GKCGKFUOTLQOGO-UHFFFAOYSA-N

Compound name

2-(6-chloropyrazin-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 172.00395 Da
Monoisotopic Mass: 0.1
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]+	173.01123	130.5
[M+Na]+	194.99317	144.0
[M+NH4]+	190.03777	137.9
[M+K]+	210.96711	138.5
[M-H]-	170.99667	130.3
[M+Na-2H]-	192.97862	137.0
[M]+	172.00340	132.4
[M]-	172.00450	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe