CID 19842111

1-methyltriazole-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

12
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 120.6
[M+Na]+ 138.00964 132.9
[M+NH4]+ 133.05424 129.2
[M+K]+ 153.98358 127.2
[M-H]- 114.01314 121.0
[M+Na-2H]- 135.99509 126.1
[M]+ 115.01987 122.8
[M]- 115.02097 122.8
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