CID 15273746

22244-62-8

Structural Information

Molecular Formula
C3H5N3OS
SMILES
CN1C(=S)NC(=O)N1
InChI
InChI=1S/C3H5N3OS/c1-6-3(8)4-2(7)5-6/h1H3,(H2,4,5,7,8)
InChIKey
OOTVRBPTSHCZJI-UHFFFAOYSA-N
Compound name
1-methyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

131.01534 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 125.1
[M+Na]+ 154.00456 136.2
[M+NH4]+ 149.04916 131.9
[M+K]+ 169.97850 131.6
[M-H]- 130.00806 123.4
[M+Na-2H]- 151.99001 128.3
[M]+ 131.01479 126.3
[M]- 131.01589 126.3
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