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]+ 204.03250 137.6
[M+Na]+ 226.01444 146.9
[M-H]- 202.01794 139.5
[M+NH4]+ 221.05904 155.5
[M+K]+ 241.98838 145.3
[M+H-H2O]+ 186.02248 131.5
[M+HCOO]- 248.02342 154.8
[M+CH3COO]- 262.03907 179.7
[M+Na-2H]- 223.99989 140.7
[M]+ 203.02467 142.8
[M]- 203.02577 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.