CID 3033225

Brn 0512509

Structural Information

Molecular Formula
C4H7N3OS2
SMILES
C(CO)NC1=NNC(=S)S1
InChI
InChI=1S/C4H7N3OS2/c8-2-1-5-3-6-7-4(9)10-3/h8H,1-2H2,(H,5,6)(H,7,9)
InChIKey
NJNXWLQIDWTHFP-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethylamino)-3H-1,3,4-thiadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

177.00305 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.01033 130.6
[M+Na]+ 199.99227 140.2
[M-H]- 175.99577 129.4
[M+NH4]+ 195.03687 149.2
[M+K]+ 215.96621 134.9
[M+H-H2O]+ 160.00031 124.9
[M+HCOO]- 222.00125 142.3
[M+CH3COO]- 236.01690 172.7
[M+Na-2H]- 197.97772 131.8
[M]+ 177.00250 130.1
[M]- 177.00360 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe