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 127.3
[M+Na]+ 180.00896 136.6
[M-H]- 156.01246 129.1
[M+NH4]+ 175.05356 147.0
[M+K]+ 195.98290 134.2
[M+H-H2O]+ 140.01700 121.7
[M+HCOO]- 202.01794 144.4
[M+CH3COO]- 216.03359 171.3
[M+Na-2H]- 177.99441 131.3
[M]+ 157.01919 128.8
[M]- 157.02029 128.8
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