CID 137951657

Sodium 4-methoxypyrimidine-2-sulfinate

Structural Information

Molecular Formula
C5H6N2O3S
SMILES
COC1=NC(=NC=C1)S(=O)O
InChI
InChI=1S/C5H6N2O3S/c1-10-4-2-3-6-5(7-4)11(8)9/h2-3H,1H3,(H,8,9)
InChIKey
XXMSRTLLGIIIAQ-UHFFFAOYSA-N
Compound name
4-methoxypyrimidine-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.00992 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.017196 130.4
[M+Na]+ 196.999138 140.0
[M-H]- 173.002644 130.8
[M+NH4]+ 192.043743 147.9
[M+K]+ 212.973078 138.1
[M+H-H2O]+ 157.007180 123.9
[M+HCOO]- 219.008121 146.7
[M+CH3COO]- 233.023771 173.2
[M+Na-2H]- 194.984586 135.0
[M]+ 174.00937142 133.4
[M]- 174.01046858 133.4
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.