CID 43444511

2-(2-aminoethanesulfonyl)-2-methylpropane hydrochloride

Structural Information

Molecular Formula

C₆H₁₅NO₂S

SMILES

CC(C)(C)S(=O)(=O)CCN

InChI

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

InChIKey

SGVFERHFXXLUCB-UHFFFAOYSA-N

Compound name

2-tert-butylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
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]+	166.089626	135.3
[M+Na]+	188.071568	142.8
[M-H]-	164.075074	135.5
[M+NH4]+	183.116173	156.1
[M+K]+	204.045508	141.3
[M+H-H2O]+	148.079610	130.9
[M+HCOO]-	210.080551	151.6
[M+CH3COO]-	224.096201	177.4
[M+Na-2H]-	186.057016	139.5
[M]+	165.08180142	137.0
[M]-	165.08289858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe