CID 54354651

4-methylpentane-2-sulfonamide

Structural Information

Molecular Formula

C₆H₁₅NO₂S

SMILES

CC(C)CC(C)S(=O)(=O)N

InChI

InChI=1S/C6H15NO2S/c1-5(2)4-6(3)10(7,8)9/h5-6H,4H2,1-3H3,(H2,7,8,9)

InChIKey

UQVRPGSMEUVEAZ-UHFFFAOYSA-N

Compound name

4-methylpentane-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
Patents: 165.08235 Da
Monoisotopic Mass: 1.0
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]+	166.08963	134.9
[M+Na]+	188.07157	141.4
[M-H]-	164.07507	134.9
[M+NH4]+	183.11617	155.4
[M+K]+	204.04551	140.5
[M+H-H2O]+	148.07961	130.1
[M+HCOO]-	210.08055	150.6
[M+CH3COO]-	224.09620	179.4
[M+Na-2H]-	186.05702	136.0
[M]+	165.08180	136.0
[M]-	165.08290	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe