CID 67112356

1206641-28-2

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: 36
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]+	162.033176	130.1
[M+Na]+	184.015118	140.8
[M-H]-	160.018624	131.8
[M+NH4]+	179.059723	150.3
[M+K]+	199.989058	138.9
[M+H-H2O]+	144.023160	124.2
[M+HCOO]-	206.024101	148.8
[M+CH3COO]-	220.039751	173.5
[M+Na-2H]-	182.000566	134.3
[M]+	161.02535142	131.6
[M]-	161.02644858	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe