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 140.2
[M+Na]+ 240.01752 149.6
[M-H]- 216.02102 142.5
[M+NH4]+ 235.06212 156.9
[M+K]+ 255.99146 140.9
[M+H-H2O]+ 200.02556 137.0
[M+HCOO]- 262.02650 157.9
[M+CH3COO]- 276.04215 174.4
[M+Na-2H]- 238.00297 148.5
[M]+ 217.02775 141.4
[M]- 217.02885 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.