CID 66020430

1481935-66-3

Structural Information

Molecular Formula

C₇H₁₃N₃O₂S

SMILES

CC1=NN(C=C1S(=O)(=O)N)C(C)C

InChI

InChI=1S/C7H13N3O2S/c1-5(2)10-4-7(6(3)9-10)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12)

InChIKey

VREXESIGMQFVSJ-UHFFFAOYSA-N

Compound name

3-methyl-1-propan-2-ylpyrazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 203.07285 Da
Monoisotopic Mass: -0.1
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]+	204.08013	144.9
[M+Na]+	226.06207	153.7
[M+NH4]+	221.10667	151.0
[M+K]+	242.03601	150.6
[M-H]-	202.06557	143.7
[M+Na-2H]-	224.04752	147.4
[M]+	203.07230	145.9
[M]-	203.07340	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe