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]+ 174.02194 130.6
[M+Na]+ 196.00388 139.7
[M-H]- 172.00738 132.3
[M+NH4]+ 191.04848 149.5
[M+K]+ 211.97782 137.8
[M+H-H2O]+ 156.01192 124.7
[M+HCOO]- 218.01286 147.9
[M+CH3COO]- 232.02851 173.4
[M+Na-2H]- 193.98933 134.7
[M]+ 173.01411 133.5
[M]- 173.01521 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