CID 24694896

3-(pyridine-3-sulfonamido)propanoic acid

Structural Information

Molecular Formula

C₈H₁₀N₂O₄S

SMILES

C1=CC(=CN=C1)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C8H10N2O4S/c11-8(12)3-5-10-15(13,14)7-2-1-4-9-6-7/h1-2,4,6,10H,3,5H2,(H,11,12)

InChIKey

ASLSNIKKDNRTMF-UHFFFAOYSA-N

Compound name

3-(pyridin-3-ylsulfonylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 230.03613 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]+	231.043406	146.4
[M+Na]+	253.025348	153.4
[M-H]-	229.028854	147.4
[M+NH4]+	248.069953	162.0
[M+K]+	268.999288	150.6
[M+H-H2O]+	213.033390	139.8
[M+HCOO]-	275.034331	163.0
[M+CH3COO]-	289.049981	184.0
[M+Na-2H]-	251.010796	151.7
[M]+	230.03558142	148.3
[M]-	230.03667858	148.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.