CID 54592895

(1-methanesulfonylpropan-2-yl)(methyl)amine

Structural Information

Molecular Formula

C₅H₁₃NO₂S

SMILES

CC(CS(=O)(=O)C)NC

InChI

InChI=1S/C5H13NO2S/c1-5(6-2)4-9(3,7)8/h5-6H,4H2,1-3H3

InChIKey

CLOKUBNHFJZPQC-UHFFFAOYSA-N

Compound name

N-methyl-1-methylsulfonylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 151.0667 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]+	152.073976	130.1
[M+Na]+	174.055918	137.3
[M-H]-	150.059424	130.8
[M+NH4]+	169.100523	151.5
[M+K]+	190.029858	136.5
[M+H-H2O]+	134.063960	125.4
[M+HCOO]-	196.064901	147.9
[M+CH3COO]-	210.080551	176.1
[M+Na-2H]-	172.041366	133.8
[M]+	151.06615142	132.5
[M]-	151.06724858	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe