CID 54595975

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

Structural Information

Molecular Formula
C7H12N4OS
SMILES
C1COCCC1C2=NNC(=S)N2N
InChI
InChI=1S/C7H12N4OS/c8-11-6(9-10-7(11)13)5-1-3-12-4-2-5/h5H,1-4,8H2,(H,10,13)
InChIKey
ZPCLTWOBCYGGFV-UHFFFAOYSA-N
Compound name
4-amino-3-(oxan-4-yl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07318 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08046 141.8
[M+Na]+ 223.06240 151.8
[M+NH4]+ 218.10700 148.9
[M+K]+ 239.03634 147.3
[M-H]- 199.06590 144.5
[M+Na-2H]- 221.04785 145.5
[M]+ 200.07263 144.0
[M]- 200.07373 144.0
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.