CID 2776505

216959-92-1

Structural Information

Molecular Formula

C₉H₇N₃O₂S

SMILES

CC1=C(SC(=N1)C2=NC=CN=C2)C(=O)O

InChI

InChI=1S/C9H7N3O2S/c1-5-7(9(13)14)15-8(12-5)6-4-10-2-3-11-6/h2-4H,1H3,(H,13,14)

InChIKey

XDZXQDHRHGIPRN-UHFFFAOYSA-N

Compound name

4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 221.0259 Da
Monoisotopic Mass: 0.8
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]+	222.03318	146.1
[M+Na]+	244.01512	158.8
[M+NH4]+	239.05972	153.2
[M+K]+	259.98906	153.6
[M-H]-	220.01862	147.3
[M+Na-2H]-	242.00057	152.4
[M]+	221.02535	148.5
[M]-	221.02645	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe