CID 40149212

1152605-07-6

Structural Information

Molecular Formula

C₈H₇N₃O₂S

SMILES

CN1C=C(C=N1)C2=NC(=CS2)C(=O)O

InChI

InChI=1S/C8H7N3O2S/c1-11-3-5(2-9-11)7-10-6(4-14-7)8(12)13/h2-4H,1H3,(H,12,13)

InChIKey

WPRROOODTALIEZ-UHFFFAOYSA-N

Compound name

2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 209.0259 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]+	210.03318	143.3
[M+Na]+	232.01512	155.1
[M+NH4]+	227.05972	150.3
[M+K]+	247.98906	152.3
[M-H]-	208.01862	143.9
[M+Na-2H]-	230.00057	148.8
[M]+	209.02535	145.4
[M]-	209.02645	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe