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

25
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 122.2
[M+Na]+ 154.00456 134.3
[M-H]- 130.00806 120.6
[M+NH4]+ 149.04916 141.8
[M+K]+ 169.97850 130.3
[M+H-H2O]+ 114.01260 116.6
[M+HCOO]- 176.01354 137.9
[M+CH3COO]- 190.02919 163.0
[M+Na-2H]- 151.99001 124.6
[M]+ 131.01479 121.5
[M]- 131.01589 121.5
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