CID 10353257

75028-24-9

Structural Information

Molecular Formula

C₆H₈N₄O₃S

SMILES

CCO/N=C(/C1=NSC(=N1)N)\C(=O)O

InChI

InChI=1S/C6H8N4O3S/c1-2-13-9-3(5(11)12)4-8-6(7)14-10-4/h2H2,1H3,(H,11,12)(H2,7,8,10)/b9-3-

InChIKey

UFTDZEXQFNFPFR-OQFOIZHKSA-N

Compound name

(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 95
Patents: 216.03171 Da
Monoisotopic Mass: 1.1
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]+	217.03899	144.9
[M+Na]+	239.02093	151.7
[M+NH4]+	234.06553	150.1
[M+K]+	254.99487	149.4
[M-H]-	215.02443	143.7
[M+Na-2H]-	237.00638	147.1
[M]+	216.03116	145.3
[M]-	216.03226	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe