CID 60147188

Tert-butyl(2-methanesulfonylethyl)amine

Structural Information

Molecular Formula

C₇H₁₇NO₂S

SMILES

CC(C)(C)NCCS(=O)(=O)C

InChI

InChI=1S/C7H17NO2S/c1-7(2,3)8-5-6-11(4,9)10/h8H,5-6H2,1-4H3

InChIKey

FSEDFFWXKHUOFO-UHFFFAOYSA-N

Compound name

2-methyl-N-(2-methylsulfonylethyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 179.098 Da
Monoisotopic Mass: 0.2
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]+	180.105276	139.4
[M+Na]+	202.087218	146.5
[M-H]-	178.090724	139.9
[M+NH4]+	197.131823	159.9
[M+K]+	218.061158	145.1
[M+H-H2O]+	162.095260	134.8
[M+HCOO]-	224.096201	156.0
[M+CH3COO]-	238.111851	181.1
[M+Na-2H]-	200.072666	144.1
[M]+	179.09745142	142.5
[M]-	179.09854858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe