CID 24702447

N-(3-aminopropyl)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₅H₁₄N₂O₂S

SMILES

CCS(=O)(=O)NCCCN

InChI

InChI=1S/C5H14N2O2S/c1-2-10(8,9)7-5-3-4-6/h7H,2-6H2,1H3

InChIKey

PWSIXFIPDREORV-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 166.0776 Da
Monoisotopic Mass: -0.9
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	133.8
[M+Na]+	189.066818	140.3
[M-H]-	165.070324	133.6
[M+NH4]+	184.111423	153.9
[M+K]+	205.040758	138.4
[M+H-H2O]+	149.074860	128.3
[M+HCOO]-	211.075801	152.8
[M+CH3COO]-	225.091451	179.6
[M+Na-2H]-	187.052266	138.0
[M]+	166.07705142	134.8
[M]-	166.07814858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe