CID 16228087

89532-07-0

Structural Information

Molecular Formula

C₆H₁₁N₃O₂S

SMILES

CC1=C(C(=NN1C)C)S(=O)(=O)N

InChI

InChI=1S/C6H11N3O2S/c1-4-6(12(7,10)11)5(2)9(3)8-4/h1-3H3,(H2,7,10,11)

InChIKey

AAEHWFDPJWBCBB-UHFFFAOYSA-N

Compound name

1,3,5-trimethylpyrazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 189.0572 Da
Monoisotopic Mass: -0.4
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]+	190.064476	138.5
[M+Na]+	212.046418	150.0
[M-H]-	188.049924	140.5
[M+NH4]+	207.091023	158.1
[M+K]+	228.020358	147.5
[M+H-H2O]+	172.054460	132.8
[M+HCOO]-	234.055401	156.4
[M+CH3COO]-	248.071051	182.0
[M+Na-2H]-	210.031866	140.3
[M]+	189.05665142	141.5
[M]-	189.05774858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe