CID 13724138

4-methanesulfonyl-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula

C₄H₇N₃O₂S

SMILES

CS(=O)(=O)C1=C(NN=C1)N

InChI

InChI=1S/C4H7N3O2S/c1-10(8,9)3-2-6-7-4(3)5/h2H,1H3,(H3,5,6,7)

InChIKey

ZTGYUUMYDUYXHP-UHFFFAOYSA-N

Compound name

4-methylsulfonyl-1H-pyrazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 161.0259 Da
Monoisotopic Mass: -0.3
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]+	162.033176	130.6
[M+Na]+	184.015118	140.9
[M-H]-	160.018624	130.9
[M+NH4]+	179.059723	150.1
[M+K]+	199.989058	138.0
[M+H-H2O]+	144.023160	124.9
[M+HCOO]-	206.024101	147.8
[M+CH3COO]-	220.039751	171.0
[M+Na-2H]-	182.000566	134.3
[M]+	161.02535142	130.3
[M]-	161.02644858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe