CID 145875177

2225144-19-2

Structural Information

Molecular Formula
C7H9NO3S
SMILES
COCC1=NC(=CC=C1)S(=O)O
InChI
InChI=1S/C7H9NO3S/c1-11-5-6-3-2-4-7(8-6)12(9)10/h2-4H,5H2,1H3,(H,9,10)
InChIKey
QEXGDFRFWUYYLG-UHFFFAOYSA-N
Compound name
6-(methoxymethyl)pyridine-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.03032 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 136.6
[M+Na]+ 210.01954 148.2
[M+NH4]+ 205.06414 144.1
[M+K]+ 225.99348 141.5
[M-H]- 186.02304 136.9
[M+Na-2H]- 208.00499 141.7
[M]+ 187.02977 138.6
[M]- 187.03087 138.6
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.