CID 22737399

3-methoxypropane-1-sulfonamide

Structural Information

Molecular Formula

C₄H₁₁NO₃S

SMILES

COCCCS(=O)(=O)N

InChI

InChI=1S/C4H11NO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)

InChIKey

WCEYYHIMDPOBRD-UHFFFAOYSA-N

Compound name

3-methoxypropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 153.04596 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]+	154.05324	131.1
[M+Na]+	176.03518	139.1
[M+NH4]+	171.07978	137.9
[M+K]+	192.00912	133.8
[M-H]-	152.03868	129.3
[M+Na-2H]-	174.02063	133.1
[M]+	153.04541	131.8
[M]-	153.04651	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe