CID 24698584

2-(n-methylpyridine-3-sulfonamido)acetic acid

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
CN(CC(=O)O)S(=O)(=O)C1=CN=CC=C1
InChI
InChI=1S/C8H10N2O4S/c1-10(6-8(11)12)15(13,14)7-3-2-4-9-5-7/h2-5H,6H2,1H3,(H,11,12)
InChIKey
CRGOOXFMADQIBM-UHFFFAOYSA-N
Compound name
2-[methyl(pyridin-3-ylsulfonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03613 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 146.9
[M+Na]+ 253.02535 156.0
[M+NH4]+ 248.06995 152.5
[M+K]+ 268.99929 151.5
[M-H]- 229.02885 146.0
[M+Na-2H]- 251.01080 151.4
[M]+ 230.03558 148.0
[M]- 230.03668 148.0
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.