CID 15623093

115311-44-9

Structural Information

Molecular Formula

C₈H₅N₃O₂S

SMILES

C1=CN=C(C=N1)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C8H5N3O2S/c12-8(13)6-4-14-7(11-6)5-3-9-1-2-10-5/h1-4H,(H,12,13)

InChIKey

FVGINDDZLLHQKO-UHFFFAOYSA-N

Compound name

2-pyrazin-2-yl-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 207.01025 Da
Monoisotopic Mass: 0.4
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]+	208.01753	141.3
[M+Na]+	229.99947	153.8
[M+NH4]+	225.04407	148.5
[M+K]+	245.97341	148.7
[M-H]-	206.00297	142.4
[M+Na-2H]-	227.98492	148.1
[M]+	207.00970	143.6
[M]-	207.01080	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe