CID 94839

5393-55-5

Structural Information

Molecular Formula
C4H5N3OS
SMILES
CC(=O)NC1=NN=CS1
InChI
InChI=1S/C4H5N3OS/c1-3(8)6-4-7-5-2-9-4/h2H,1H3,(H,6,7,8)
InChIKey
YOGFGFKRNRQDMF-UHFFFAOYSA-N
Compound name
N-(1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

274
Patents

143.01534 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.022616 125.6
[M+Na]+ 166.004558 134.8
[M-H]- 142.008064 127.4
[M+NH4]+ 161.049163 146.6
[M+K]+ 181.978498 133.6
[M+H-H2O]+ 126.012600 118.9
[M+HCOO]- 188.013541 145.2
[M+CH3COO]- 202.029191 171.7
[M+Na-2H]- 163.990006 129.6
[M]+ 143.01479142 127.0
[M]- 143.01588858 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe