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]+ 162.03318 129.8
[M+Na]+ 184.01512 140.9
[M-H]- 160.01862 127.9
[M+NH4]+ 179.05972 148.1
[M+K]+ 199.98906 137.7
[M+H-H2O]+ 144.02316 123.7
[M+HCOO]- 206.02410 145.2
[M+CH3COO]- 220.03975 168.9
[M+Na-2H]- 182.00057 131.9
[M]+ 161.02535 131.5
[M]- 161.02645 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.