CID 16788721

161897-67-2

Structural Information

Molecular Formula

C₅H₁₄N₂O₂S

SMILES

CC(C)NS(=O)(=O)CCN

InChI

InChI=1S/C5H14N2O2S/c1-5(2)7-10(8,9)4-3-6/h5,7H,3-4,6H2,1-2H3

InChIKey

LGJWWLBWHMRQFZ-UHFFFAOYSA-N

Compound name

2-amino-N-propan-2-ylethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 166.0776 Da
Monoisotopic Mass: -0.8
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]+	167.084876	134.3
[M+Na]+	189.066818	140.5
[M-H]-	165.070324	134.1
[M+NH4]+	184.111423	154.3
[M+K]+	205.040758	139.1
[M+H-H2O]+	149.074860	128.9
[M+HCOO]-	211.075801	152.2
[M+CH3COO]-	225.091451	180.4
[M+Na-2H]-	187.052266	137.3
[M]+	166.07705142	134.7
[M]-	166.07814858	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe