CID 137949081

Sodium 6-methylpyridazine-3-sulfinate

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
CC1=NN=C(C=C1)S(=O)O
InChI
InChI=1S/C5H6N2O2S/c1-4-2-3-5(7-6-4)10(8)9/h2-3H,1H3,(H,8,9)
InChIKey
XEIRTOBLVJHGBI-UHFFFAOYSA-N
Compound name
6-methylpyridazine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.015 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02228 129.1
[M+Na]+ 181.00422 141.3
[M+NH4]+ 176.04882 136.7
[M+K]+ 196.97816 134.9
[M-H]- 157.00772 129.2
[M+Na-2H]- 178.98967 134.7
[M]+ 158.01445 131.1
[M]- 158.01555 131.1
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

No patent data available for this compound.