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]+ 187.064806 137.6
[M+Na]+ 209.046748 147.2
[M-H]- 185.050254 140.2
[M+NH4]+ 204.091353 155.3
[M+K]+ 225.020688 144.8
[M+H-H2O]+ 169.054790 130.9
[M+HCOO]- 231.055731 153.0
[M+CH3COO]- 245.071381 150.2
[M+Na-2H]- 207.032196 137.3
[M]+ 186.05698142 135.2
[M]- 186.05807858 135.2
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.