CID 67112356

1-methanesulfonyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula

C₄H₇N₃O₂S

SMILES

CS(=O)(=O)N1C=C(C=N1)N

InChI

InChI=1S/C4H7N3O2S/c1-10(8,9)7-3-4(5)2-6-7/h2-3H,5H2,1H3

InChIKey

PDEMILZYVWBCCO-UHFFFAOYSA-N

Compound name

1-methylsulfonylpyrazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 161.0259 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.03318	131.8
[M+Na]+	184.01512	141.1
[M+NH4]+	179.05972	138.4
[M+K]+	199.98906	137.7
[M-H]-	160.01862	130.8
[M+Na-2H]-	182.00057	135.5
[M]+	161.02535	132.9
[M]-	161.02645	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe