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 137.6
[M+Na]+ 209.04675 147.2
[M-H]- 185.05025 140.2
[M+NH4]+ 204.09135 155.3
[M+K]+ 225.02069 144.8
[M+H-H2O]+ 169.05479 130.9
[M+HCOO]- 231.05573 153.0
[M+CH3COO]- 245.07138 150.2
[M+Na-2H]- 207.03220 137.3
[M]+ 186.05698 135.2
[M]- 186.05808 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.