CID 58229417

Lithium(1+) ion 5-methylpyridine-2-sulfinate

Structural Information

Molecular Formula
C6H7NO2S
SMILES
CC1=CN=C(C=C1)S(=O)O
InChI
InChI=1S/C6H7NO2S/c1-5-2-3-6(7-4-5)10(8)9/h2-4H,1H3,(H,8,9)
InChIKey
LJCQNZDBMLHJDE-UHFFFAOYSA-N
Compound name
5-methylpyridine-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

157.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 129.0
[M+Na]+ 180.00896 141.3
[M+NH4]+ 175.05356 137.3
[M+K]+ 195.98290 134.3
[M-H]- 156.01246 129.9
[M+Na-2H]- 177.99441 134.8
[M]+ 157.01919 131.3
[M]- 157.02029 131.3
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

patents stripe