CID 48206

2-ethyl-2-(propylsulfonyl)butyramide

Structural Information

Molecular Formula

C₉H₁₉NO₃S

SMILES

CCCS(=O)(=O)C(CC)(CC)C(=O)N

InChI

InChI=1S/C9H19NO3S/c1-4-7-14(12,13)9(5-2,6-3)8(10)11/h4-7H2,1-3H3,(H2,10,11)

InChIKey

DUAMOMKXKUHSRH-UHFFFAOYSA-N

Compound name

2-ethyl-2-propylsulfonylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 221.10857 Da
Monoisotopic Mass: 1.1
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]+	222.115846	150.0
[M+Na]+	244.097788	156.0
[M-H]-	220.101294	149.6
[M+NH4]+	239.142393	168.2
[M+K]+	260.071728	154.2
[M+H-H2O]+	204.105830	145.0
[M+HCOO]-	266.106771	164.8
[M+CH3COO]-	280.122421	189.1
[M+Na-2H]-	242.083236	152.0
[M]+	221.10802142	153.1
[M]-	221.10911858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.