CID 3036403

79208-64-3

Structural Information

Molecular Formula
C4H6N2S
SMILES
CN1C=CC(=S)N1
InChI
InChI=1S/C4H6N2S/c1-6-3-2-4(7)5-6/h2-3H,1H3,(H,5,7)
InChIKey
PNIUJDOZMFZIFN-UHFFFAOYSA-N
Compound name
2-methyl-1H-pyrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

114.02517 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.032446 118.3
[M+Na]+ 137.014388 129.4
[M-H]- 113.017894 119.1
[M+NH4]+ 132.058993 140.6
[M+K]+ 152.988328 126.6
[M+H-H2O]+ 97.022430 112.9
[M+HCOO]- 159.023371 136.2
[M+CH3COO]- 173.039021 163.3
[M+Na-2H]- 134.999836 121.7
[M]+ 114.02462142 118.3
[M]- 114.02571858 118.3
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