CID 351611

33901-30-3

Structural Information

Molecular Formula

SMILES

C1(=NNC(=O)S1)N

InChI

InChI=1S/C2H3N3OS/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)

InChIKey

ZXDPFAWIADNOFE-UHFFFAOYSA-N

Compound name

5-amino-3H-1,3,4-thiadiazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 40
Patents: 116.99968 Da
Monoisotopic Mass: -0.3
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]+	118.00696	118.6
[M+Na]+	139.98890	128.6
[M+NH4]+	135.03350	126.3
[M+K]+	155.96284	124.4
[M-H]-	115.99240	118.5
[M+Na-2H]-	137.97435	122.9
[M]+	116.99913	120.0
[M]-	117.00023	120.0

Literature stripe

literature stripe

Patent stripe

patents stripe