CID 64553015

2253638-50-3

Structural Information

Molecular Formula

C₆H₁₄N₂O₂S

SMILES

C1CC1S(=O)(=O)NCCCN

InChI

InChI=1S/C6H14N2O2S/c7-4-1-5-8-11(9,10)6-2-3-6/h6,8H,1-5,7H2

InChIKey

YZQBNLLUMZKXAG-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)cyclopropanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 178.0776 Da
Monoisotopic Mass: -0.7
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]+	179.08488	132.4
[M+Na]+	201.06682	140.3
[M-H]-	177.07032	136.3
[M+NH4]+	196.11142	147.2
[M+K]+	217.04076	136.7
[M+H-H2O]+	161.07486	126.2
[M+HCOO]-	223.07580	151.7
[M+CH3COO]-	237.09145	184.4
[M+Na-2H]-	199.05227	137.2
[M]+	178.07705	135.2
[M]-	178.07815	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.