CID 110867990

1-methanesulfonyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C4H7N3O2S
SMILES
CS(=O)(=O)N1C=CC(=N1)N
InChI
InChI=1S/C4H7N3O2S/c1-10(8,9)7-3-2-4(5)6-7/h2-3H,1H3,(H2,5,6)
InChIKey
GRWSEFABXWAPMV-UHFFFAOYSA-N
Compound name
1-methylsulfonylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.0259 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03318 130.1
[M+Na]+ 184.01512 140.8
[M-H]- 160.01862 131.8
[M+NH4]+ 179.05972 150.3
[M+K]+ 199.98906 138.9
[M+H-H2O]+ 144.02316 124.2
[M+HCOO]- 206.02410 148.8
[M+CH3COO]- 220.03975 173.5
[M+Na-2H]- 182.00057 134.3
[M]+ 161.02535 131.6
[M]- 161.02645 131.6
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

No patent data available for this compound.