CID 137390504

1-methyl-4-(methylsulfanyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H9N3S
SMILES
CN1C=C(C(=N1)N)SC
InChI
InChI=1S/C5H9N3S/c1-8-3-4(9-2)5(6)7-8/h3H,1-2H3,(H2,6,7)
InChIKey
AGNIDLTUXHYUIK-UHFFFAOYSA-N
Compound name
1-methyl-4-methylsulfanylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

143.05171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.058986 126.7
[M+Na]+ 166.040928 137.3
[M-H]- 142.044434 128.3
[M+NH4]+ 161.085533 148.1
[M+K]+ 182.014868 135.1
[M+H-H2O]+ 126.048970 120.5
[M+HCOO]- 188.049911 145.8
[M+CH3COO]- 202.065561 175.0
[M+Na-2H]- 164.026376 128.9
[M]+ 143.05116142 128.1
[M]- 143.05225858 128.1
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