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

2
Patents

143.05171 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05899 126.7
[M+Na]+ 166.04093 137.3
[M-H]- 142.04443 128.3
[M+NH4]+ 161.08553 148.1
[M+K]+ 182.01487 135.1
[M+H-H2O]+ 126.04897 120.5
[M+HCOO]- 188.04991 145.8
[M+CH3COO]- 202.06556 175.0
[M+Na-2H]- 164.02638 128.9
[M]+ 143.05116 128.1
[M]- 143.05226 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