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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 146.4
[M+Na]+ 253.02535 153.4
[M-H]- 229.02885 147.4
[M+NH4]+ 248.06995 162.0
[M+K]+ 268.99929 150.6
[M+H-H2O]+ 213.03339 139.8
[M+HCOO]- 275.03433 163.0
[M+CH3COO]- 289.04998 184.0
[M+Na-2H]- 251.01080 151.7
[M]+ 230.03558 148.3
[M]- 230.03668 148.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.