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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 145.4
[M+Na]+ 253.02535 153.4
[M-H]- 229.02885 148.3
[M+NH4]+ 248.06995 162.0
[M+K]+ 268.99929 152.1
[M+H-H2O]+ 213.03339 138.9
[M+HCOO]- 275.03433 162.4
[M+CH3COO]- 289.04998 188.6
[M+Na-2H]- 251.01080 149.4
[M]+ 230.03558 149.0
[M]- 230.03668 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