CID 135959470

Pyridinium, 2-formyl-1-methyl-, sulfonate, oxime

Structural Information

Molecular Formula
C7H9N2O4S
SMILES
C[N+]1=CC=CC(=C1/C=N/O)S(=O)(=O)O
InChI
InChI=1S/C7H8N2O4S/c1-9-4-2-3-7(14(11,12)13)6(9)5-8-10/h2-5H,1H3,(H,11,12,13)/p+1
InChIKey
JDKKGHHGWQJGCX-UHFFFAOYSA-O
Compound name
2-[(E)-hydroxyiminomethyl]-1-methylpyridin-1-ium-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0283 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.035576 140.2
[M+Na]+ 240.017518 149.6
[M-H]- 216.021024 142.5
[M+NH4]+ 235.062123 156.9
[M+K]+ 255.991458 140.9
[M+H-H2O]+ 200.025560 137.0
[M+HCOO]- 262.026501 157.9
[M+CH3COO]- 276.042151 174.4
[M+Na-2H]- 238.002966 148.5
[M]+ 217.02775142 141.4
[M]- 217.02884858 141.4
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.