CID 15080909

65029-36-9

Structural Information

Molecular Formula
C4H7N3OS
SMILES
CN1C(=NNC1=S)CO
InChI
InChI=1S/C4H7N3OS/c1-7-3(2-8)5-6-4(7)9/h8H,2H2,1H3,(H,6,9)
InChIKey
IBWZWRZRXBVCRS-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-4-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

145.03099 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 126.7
[M+Na]+ 168.02021 138.1
[M-H]- 144.02371 124.9
[M+NH4]+ 163.06481 145.9
[M+K]+ 183.99415 134.5
[M+H-H2O]+ 128.02825 120.9
[M+HCOO]- 190.02919 142.0
[M+CH3COO]- 204.04484 166.8
[M+Na-2H]- 166.00566 128.7
[M]+ 145.03044 127.1
[M]- 145.03154 127.1
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

patents stripe