CID 57336588

1308677-22-6

Structural Information

Molecular Formula
C6H6N2O4S
SMILES
C1=CN=C(C=C1S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C6H6N2O4S/c7-13(11,12)4-1-2-8-5(3-4)6(9)10/h1-3H,(H,9,10)(H2,7,11,12)
InChIKey
IGHCPTQYPZLSJG-UHFFFAOYSA-N
Compound name
4-sulfamoylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00482 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01210 137.8
[M+Na]+ 224.99404 146.6
[M-H]- 200.99754 139.0
[M+NH4]+ 220.03864 154.6
[M+K]+ 240.96798 143.8
[M+H-H2O]+ 185.00208 131.8
[M+HCOO]- 247.00302 154.4
[M+CH3COO]- 261.01867 178.6
[M+Na-2H]- 222.97949 142.2
[M]+ 202.00427 138.3
[M]- 202.00537 138.3
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.