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

8
Patents

230.03613 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.043406 145.4
[M+Na]+ 253.025348 153.4
[M-H]- 229.028854 148.3
[M+NH4]+ 248.069953 162.0
[M+K]+ 268.999288 152.1
[M+H-H2O]+ 213.033390 138.9
[M+HCOO]- 275.034331 162.4
[M+CH3COO]- 289.049981 188.6
[M+Na-2H]- 251.010796 149.4
[M]+ 230.03558142 149.0
[M]- 230.03667858 149.0
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

patents stripe