CID 16227605

3-(6-chloropyridine-3-sulfonamido)propanoic acid

Structural Information

Molecular Formula
C8H9ClN2O4S
SMILES
C1=CC(=NC=C1S(=O)(=O)NCCC(=O)O)Cl
InChI
InChI=1S/C8H9ClN2O4S/c9-7-2-1-6(5-10-7)16(14,15)11-4-3-8(12)13/h1-2,5,11H,3-4H2,(H,12,13)
InChIKey
IOEYIOQUZIENMD-UHFFFAOYSA-N
Compound name
3-[(6-chloropyridin-3-yl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.99716 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00444 153.7
[M+Na]+ 286.98638 163.6
[M+NH4]+ 282.03098 159.3
[M+K]+ 302.96032 158.0
[M-H]- 262.98988 152.5
[M+Na-2H]- 284.97183 157.6
[M]+ 263.99661 155.1
[M]- 263.99771 155.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.