CID 54595866

4-methanesulfonyl-2-methylbutan-2-amine

Structural Information

Molecular Formula

C₆H₁₅NO₂S

SMILES

CC(C)(CCS(=O)(=O)C)N

InChI

InChI=1S/C6H15NO2S/c1-6(2,7)4-5-10(3,8)9/h4-5,7H2,1-3H3

InChIKey

OMENBDLFXMNVBE-UHFFFAOYSA-N

Compound name

2-methyl-4-methylsulfonylbutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 165.08235 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]+	166.08963	135.1
[M+Na]+	188.07157	142.5
[M-H]-	164.07507	135.2
[M+NH4]+	183.11617	155.8
[M+K]+	204.04551	141.0
[M+H-H2O]+	148.07961	130.7
[M+HCOO]-	210.08055	151.4
[M+CH3COO]-	224.09620	178.1
[M+Na-2H]-	186.05702	139.3
[M]+	165.08180	136.9
[M]-	165.08290	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe