CID 54857406

1115962-75-8

Structural Information

Molecular Formula

C₈H₁₀N₂O₄S

SMILES

CN(C)S(=O)(=O)C1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C8H10N2O4S/c1-10(2)15(13,14)7-4-3-6(5-9-7)8(11)12/h3-5H,1-2H3,(H,11,12)

InChIKey

DZCJKFFQXFGSDP-UHFFFAOYSA-N

Compound name

6-(dimethylsulfamoyl)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 230.03613 Da
Monoisotopic Mass: -0.1
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]+	231.04341	147.2
[M+Na]+	253.02535	156.6
[M+NH4]+	248.06995	152.8
[M+K]+	268.99929	152.4
[M-H]-	229.02885	146.3
[M+Na-2H]-	251.01080	151.4
[M]+	230.03558	148.4
[M]-	230.03668	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe