CID 351912

32418-24-9

Structural Information

Molecular Formula

C₆H₉N₃O₂S₂

SMILES

CCOC(=O)CSC1=NN=C(S1)N

InChI

InChI=1S/C6H9N3O2S2/c1-2-11-4(10)3-12-6-9-8-5(7)13-6/h2-3H2,1H3,(H2,7,8)

InChIKey

IYLGYUIQSDVGCP-UHFFFAOYSA-N

Compound name

ethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 61
Patents: 219.01363 Da
Monoisotopic Mass: 1.2
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]+	220.02091	145.3
[M+Na]+	242.00285	153.5
[M+NH4]+	237.04745	152.2
[M+K]+	257.97679	147.5
[M-H]-	218.00635	145.2
[M+Na-2H]-	239.98830	147.5
[M]+	219.01308	147.0
[M]-	219.01418	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe