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

32
Patents

114.02517 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 118.3
[M+Na]+ 137.01439 129.4
[M-H]- 113.01789 119.1
[M+NH4]+ 132.05899 140.6
[M+K]+ 152.98833 126.6
[M+H-H2O]+ 97.022430 112.9
[M+HCOO]- 159.02337 136.2
[M+CH3COO]- 173.03902 163.3
[M+Na-2H]- 134.99984 121.7
[M]+ 114.02462 118.3
[M]- 114.02572 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