CID 468621

(pyridine-4-carbonylamino)sulfamic acid

Structural Information

Molecular Formula
C6H7N3O4S
SMILES
C1=CN=CC=C1C(=O)NNS(=O)(=O)O
InChI
InChI=1S/C6H7N3O4S/c10-6(8-9-14(11,12)13)5-1-3-7-4-2-5/h1-4,9H,(H,8,10)(H,11,12,13)
InChIKey
XIBBOWKVOJLVPJ-UHFFFAOYSA-N
Compound name
(pyridine-4-carbonylamino)sulfamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.01573 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.023006 141.0
[M+Na]+ 240.004948 148.0
[M-H]- 216.008454 142.2
[M+NH4]+ 235.049553 156.7
[M+K]+ 255.978888 145.4
[M+H-H2O]+ 200.012990 134.2
[M+HCOO]- 262.013931 159.2
[M+CH3COO]- 276.029581 182.5
[M+Na-2H]- 237.990396 147.8
[M]+ 217.01518142 141.2
[M]- 217.01627858 141.2
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