CID 71757989

2-cyano-2,2-dimethylethane-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₀N₂O₂S

SMILES

CC(C)(CS(=O)(=O)N)C#N

InChI

InChI=1S/C5H10N2O2S/c1-5(2,3-6)4-10(7,8)9/h4H2,1-2H3,(H2,7,8,9)

InChIKey

FYOWZIDNYBPKPT-UHFFFAOYSA-N

Compound name

2-cyano-2-methylpropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.0463 Da
Monoisotopic Mass: -0.5
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]+	163.053576	141.4
[M+Na]+	185.035518	150.7
[M-H]-	161.039024	142.8
[M+NH4]+	180.080123	160.1
[M+K]+	201.009458	150.5
[M+H-H2O]+	145.043560	130.5
[M+HCOO]-	207.044501	155.0
[M+CH3COO]-	221.060151	189.1
[M+Na-2H]-	183.020966	145.3
[M]+	162.04575142	137.7
[M]-	162.04684858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.