CID 6912535

Sodium pyridine-4-sulfinate

Structural Information

Molecular Formula
C5H5NO2S
SMILES
C1=CN=CC=C1S(=O)O
InChI
InChI=1S/C5H5NO2S/c7-9(8)5-1-3-6-4-2-5/h1-4H,(H,7,8)
InChIKey
TZHUQQDCJYTNDZ-UHFFFAOYSA-N
Compound name
pyridine-4-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

143.0041 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.011376 123.3
[M+Na]+ 165.993318 132.2
[M-H]- 141.996824 124.9
[M+NH4]+ 161.037923 143.2
[M+K]+ 181.967258 130.0
[M+H-H2O]+ 126.001360 117.7
[M+HCOO]- 188.002301 140.8
[M+CH3COO]- 202.017951 167.2
[M+Na-2H]- 163.978766 128.5
[M]+ 143.00355142 124.1
[M]- 143.00464858 124.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe