CID 137965581

2230803-59-3

Structural Information

Molecular Formula
C7H9NO3S
SMILES
CC1=CC(=CN=C1OC)S(=O)O
InChI
InChI=1S/C7H9NO3S/c1-5-3-6(12(9)10)4-8-7(5)11-2/h3-4H,1-2H3,(H,9,10)
InChIKey
XJWKSHBJDISVIO-UHFFFAOYSA-N
Compound name
6-methoxy-5-methylpyridine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.03032 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.03760 136.8
[M+Na]+ 210.01954 148.7
[M+NH4]+ 205.06414 144.3
[M+K]+ 225.99348 142.3
[M-H]- 186.02304 137.2
[M+Na-2H]- 208.00499 141.7
[M]+ 187.02977 138.9
[M]- 187.03087 138.9
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.