CID 135988489

2155852-83-6

Structural Information

Molecular Formula

C₇H₅N₃O₂S

SMILES

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

InChI

InChI=1S/C7H5N3O2S/c11-7(12)5-2-13-6(10-5)4-1-8-3-9-4/h1-3H,(H,8,9)(H,11,12)

InChIKey

QHWMNASLGCGQNK-UHFFFAOYSA-N

Compound name

2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 195.01025 Da
Monoisotopic Mass: 0.6
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]+	196.01753	137.5
[M+Na]+	217.99947	148.8
[M-H]-	194.00297	139.7
[M+NH4]+	213.04407	155.9
[M+K]+	233.97341	145.3
[M+H-H2O]+	178.00751	130.9
[M+HCOO]-	240.00845	155.1
[M+CH3COO]-	254.02410	150.8
[M+Na-2H]-	215.98492	138.7
[M]+	195.00970	139.5
[M]-	195.01080	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe