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

50
Patents

115.02042 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.02770 117.8
[M+Na]+ 138.00964 129.5
[M-H]- 114.01314 118.6
[M+NH4]+ 133.05424 139.4
[M+K]+ 153.98358 128.4
[M+H-H2O]+ 98.017680 111.4
[M+HCOO]- 160.01862 136.0
[M+CH3COO]- 174.03427 166.8
[M+Na-2H]- 135.99509 122.0
[M]+ 115.01987 120.5
[M]- 115.02097 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