CID 14241652

Sodium 5-amino-1,3,4-thiadiazole-2-carboxylate

Structural Information

Molecular Formula

C₃H₃N₃O₂S

SMILES

C1(=NN=C(S1)N)C(=O)O

InChI

InChI=1S/C3H3N3O2S/c4-3-6-5-1(9-3)2(7)8/h(H2,4,6)(H,7,8)

InChIKey

PYUJXSWVAHMPEK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 144.9946 Da
Monoisotopic Mass: -0.1
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]+	146.00188	126.1
[M+Na]+	167.98382	135.1
[M+NH4]+	163.02842	132.9
[M+K]+	183.95776	132.0
[M-H]-	143.98732	125.3
[M+Na-2H]-	165.96927	129.4
[M]+	144.99405	127.1
[M]-	144.99515	127.1

Literature stripe

literature stripe

Patent stripe

patents stripe