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]+ 158.027016 127.3
[M+Na]+ 180.008958 136.6
[M-H]- 156.012464 129.1
[M+NH4]+ 175.053563 147.0
[M+K]+ 195.982898 134.2
[M+H-H2O]+ 140.017000 121.7
[M+HCOO]- 202.017941 144.4
[M+CH3COO]- 216.033591 171.3
[M+Na-2H]- 177.994406 131.3
[M]+ 157.01919142 128.8
[M]- 157.02028858 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