CID 21394713

16867-02-0

Structural Information

Molecular Formula
C5H6N2O4S
SMILES
C1=CN(C(=N)C(=C1)O)S(=O)(=O)O
InChI
InChI=1S/C5H6N2O4S/c6-5-4(8)2-1-3-7(5)12(9,10)11/h1-3,6,8H,(H,9,10,11)
InChIKey
ZHEIPENHXODJLV-UHFFFAOYSA-N
Compound name
3-hydroxy-2-iminopyridine-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

190.00482 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.012096 133.8
[M+Na]+ 212.994038 143.7
[M-H]- 188.997544 134.5
[M+NH4]+ 208.038643 151.0
[M+K]+ 228.967978 140.0
[M+H-H2O]+ 173.002080 128.3
[M+HCOO]- 235.003021 150.7
[M+CH3COO]- 249.018671 174.2
[M+Na-2H]- 210.979486 139.6
[M]+ 190.00427142 134.1
[M]- 190.00536858 134.1
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