CID 208602

32550-67-7

Structural Information

Molecular Formula
C4H7N3O2S
SMILES
C1=NN(C(=S)N1CO)CO
InChI
InChI=1S/C4H7N3O2S/c8-2-6-1-5-7(3-9)4(6)10/h1,8-9H,2-3H2
InChIKey
DZTHSPZBXMIXOH-UHFFFAOYSA-N
Compound name
2,4-bis(hydroxymethyl)-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.0259 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.033176 129.8
[M+Na]+ 184.015118 140.9
[M-H]- 160.018624 127.9
[M+NH4]+ 179.059723 148.1
[M+K]+ 199.989058 137.7
[M+H-H2O]+ 144.023160 123.7
[M+HCOO]- 206.024101 145.2
[M+CH3COO]- 220.039751 168.9
[M+Na-2H]- 182.000566 131.9
[M]+ 161.02535142 131.5
[M]- 161.02644858 131.5
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.