CID 135416851

23968-85-6

Structural Information

Molecular Formula
C3H5N3OS
SMILES
C(C1=NNC(=O)N1)S
InChI
InChI=1S/C3H5N3OS/c7-3-4-2(1-8)5-6-3/h8H,1H2,(H2,4,5,6,7)
InChIKey
VVVKMBYFOGNRRU-UHFFFAOYSA-N
Compound name
3-(sulfanylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.01534 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 124.5
[M+Na]+ 154.00456 135.1
[M+NH4]+ 149.04916 131.5
[M+K]+ 169.97850 130.5
[M-H]- 130.00806 123.0
[M+Na-2H]- 151.99001 128.1
[M]+ 131.01479 125.6
[M]- 131.01589 125.6
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