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]+ 175.01720 130.4
[M+Na]+ 196.99914 140.0
[M-H]- 173.00264 130.8
[M+NH4]+ 192.04374 147.9
[M+K]+ 212.97308 138.1
[M+H-H2O]+ 157.00718 123.9
[M+HCOO]- 219.00812 146.7
[M+CH3COO]- 233.02377 173.2
[M+Na-2H]- 194.98459 135.0
[M]+ 174.00937 133.4
[M]- 174.01047 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.