CID 178244202

5-methyl-1-oxo-3h-1,3,4-thiadiazol-2-one

Structural Information

Molecular Formula
C3H4N2O2S
SMILES
CC1=NNC(=O)S1=O
InChI
InChI=1S/C3H4N2O2S/c1-2-4-5-3(6)8(2)7/h1H3,(H,5,6)
InChIKey
KIHABWIUTLECBN-UHFFFAOYSA-N
Compound name
5-methyl-1-oxo-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.99934 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.006616 121.4
[M+Na]+ 154.988558 132.6
[M-H]- 130.992064 122.2
[M+NH4]+ 150.033163 142.8
[M+K]+ 170.962498 130.4
[M+H-H2O]+ 114.996600 116.1
[M+HCOO]- 176.997541 138.7
[M+CH3COO]- 191.013191 164.9
[M+Na-2H]- 152.974006 123.7
[M]+ 131.99879142 122.1
[M]- 131.99988858 122.1
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

No patent data available for this compound.