CID 23303081

2703780-23-6

Structural Information

Molecular Formula

C₃H₂N₂O₂S

SMILES

C1=NC(=NS1)C(=O)O

InChI

InChI=1S/C3H2N2O2S/c6-3(7)2-4-1-8-5-2/h1H,(H,6,7)

InChIKey

JCEZAGTZPADNGD-UHFFFAOYSA-N

Compound name

1,2,4-thiadiazole-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 129.9837 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]+	130.990976	120.9
[M+Na]+	152.972918	130.8
[M-H]-	128.976424	121.5
[M+NH4]+	148.017523	141.9
[M+K]+	168.946858	129.6
[M+H-H2O]+	112.980960	115.1
[M+HCOO]-	174.981901	138.6
[M+CH3COO]-	188.997551	164.0
[M+Na-2H]-	150.958366	124.5
[M]+	129.98315142	122.3
[M]-	129.98424858	122.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe