CID 19842111

1-methyl-1h-1,2,3-triazole-4-thiol

Structural Information

Molecular Formula
C3H5N3S
SMILES
CN1C=C(N=N1)S
InChI
InChI=1S/C3H5N3S/c1-6-2-3(7)4-5-6/h2,7H,1H3
InChIKey
GPMKRLQZBACPED-UHFFFAOYSA-N
Compound name
1-methyltriazole-4-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

115.02042 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.027696 117.8
[M+Na]+ 138.009638 129.5
[M-H]- 114.013144 118.6
[M+NH4]+ 133.054243 139.4
[M+K]+ 153.983578 128.4
[M+H-H2O]+ 98.017680 111.4
[M+HCOO]- 160.018621 136.0
[M+CH3COO]- 174.034271 166.8
[M+Na-2H]- 135.995086 122.0
[M]+ 115.01987142 120.5
[M]- 115.02096858 120.5
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

patents stripe