CID 57744915

2098851-55-7

Structural Information

Molecular Formula
C6H7NO3S
SMILES
COC1=NC=C(C=C1)S(=O)O
InChI
InChI=1S/C6H7NO3S/c1-10-6-3-2-5(4-7-6)11(8)9/h2-4H,1H3,(H,8,9)
InChIKey
HMNWLCNBNKFXKX-UHFFFAOYSA-N
Compound name
6-methoxypyridine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

173.01466 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.021936 130.6
[M+Na]+ 196.003878 139.7
[M-H]- 172.007384 132.3
[M+NH4]+ 191.048483 149.5
[M+K]+ 211.977818 137.8
[M+H-H2O]+ 156.011920 124.7
[M+HCOO]- 218.012861 147.9
[M+CH3COO]- 232.028511 173.4
[M+Na-2H]- 193.989326 134.7
[M]+ 173.01411142 133.5
[M]- 173.01520858 133.5
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