CID 61279303

4-amino-5-(oxolan-3-yl)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C6H10N4OS
SMILES
C1COCC1C2=NNC(=S)N2N
InChI
InChI=1S/C6H10N4OS/c7-10-5(8-9-6(10)12)4-1-2-11-3-4/h4H,1-3,7H2,(H,9,12)
InChIKey
XSXPABGEYJXEDG-UHFFFAOYSA-N
Compound name
4-amino-3-(oxolan-3-yl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.05753 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06481 138.2
[M+Na]+ 209.04675 147.3
[M+NH4]+ 204.09135 145.2
[M+K]+ 225.02069 145.2
[M-H]- 185.05025 140.2
[M+Na-2H]- 207.03220 141.1
[M]+ 186.05698 140.0
[M]- 186.05808 140.0
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.