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]+ 218.02301 141.0
[M+Na]+ 240.00495 148.0
[M-H]- 216.00845 142.2
[M+NH4]+ 235.04955 156.7
[M+K]+ 255.97889 145.4
[M+H-H2O]+ 200.01299 134.2
[M+HCOO]- 262.01393 159.2
[M+CH3COO]- 276.02958 182.5
[M+Na-2H]- 237.99040 147.8
[M]+ 217.01518 141.2
[M]- 217.01628 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