CID 135959470

Pam-sulfonat [german]

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]+ 218.03558 140.1
[M+Na]+ 240.01752 152.4
[M+NH4]+ 235.06212 147.0
[M+K]+ 255.99146 147.9
[M-H]- 216.02102 141.0
[M+Na-2H]- 238.00297 145.5
[M]+ 217.02775 142.6
[M]- 217.02885 142.6
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.