CID 1540439

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

Structural Information

Molecular Formula

C₄H₅N₃O₂S

SMILES

COC(=O)C1=NSN=C1N

InChI

InChI=1S/C4H5N3O2S/c1-9-4(8)2-3(5)7-10-6-2/h1H3,(H2,5,7)

InChIKey

DOLNBTMCAGQKDX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 159.01025 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]+	160.01753	130.6
[M+Na]+	181.99947	139.9
[M+NH4]+	177.04407	137.6
[M+K]+	197.97341	136.3
[M-H]-	158.00297	130.3
[M+Na-2H]-	179.98492	134.2
[M]+	159.00970	131.8
[M]-	159.01080	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe