CID 165941549

2694728-90-8

Structural Information

Molecular Formula
C7H9NO4S
SMILES
COC1=C(N=CC(=C1)S(=O)O)OC
InChI
InChI=1S/C7H9NO4S/c1-11-6-3-5(13(9)10)4-8-7(6)12-2/h3-4H,1-2H3,(H,9,10)
InChIKey
YFBZTTMGJXFWRS-UHFFFAOYSA-N
Compound name
5,6-dimethoxypyridine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.02522 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.032496 137.6
[M+Na]+ 226.014438 146.9
[M-H]- 202.017944 139.5
[M+NH4]+ 221.059043 155.5
[M+K]+ 241.988378 145.3
[M+H-H2O]+ 186.022480 131.5
[M+HCOO]- 248.023421 154.8
[M+CH3COO]- 262.039071 179.7
[M+Na-2H]- 223.999886 140.7
[M]+ 203.02467142 142.8
[M]- 203.02576858 142.8
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

No patent data available for this compound.