CID 14676503

2-(pyridine-3-sulfonamido)acetic acid

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
C1=CC(=CN=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C7H8N2O4S/c10-7(11)5-9-14(12,13)6-2-1-3-8-4-6/h1-4,9H,5H2,(H,10,11)
InChIKey
ATIOLTOEDAOGRD-UHFFFAOYSA-N
Compound name
2-(pyridin-3-ylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02048 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 142.0
[M+Na]+ 239.00970 149.5
[M-H]- 215.01320 143.2
[M+NH4]+ 234.05430 158.2
[M+K]+ 254.98364 146.8
[M+H-H2O]+ 199.01774 135.6
[M+HCOO]- 261.01868 159.0
[M+CH3COO]- 275.03433 181.0
[M+Na-2H]- 236.99515 147.8
[M]+ 216.01993 143.5
[M]- 216.02103 143.5
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.