CID 18412196

Sodium pyrimidine-2-sulfinate

Structural Information

Molecular Formula

C₄H₄N₂O₂S

SMILES

C1=CN=C(N=C1)S(=O)O

InChI

InChI=1S/C4H4N2O2S/c7-9(8)4-5-2-1-3-6-4/h1-3H,(H,7,8)

InChIKey

RKNRIAHABHXEPY-UHFFFAOYSA-N

Compound name

pyrimidine-2-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 143.99934 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	145.006616	123.1
[M+Na]+	166.988558	132.4
[M-H]-	142.992064	123.3
[M+NH4]+	162.033163	141.6
[M+K]+	182.962498	130.3
[M+H-H2O]+	126.996600	116.8
[M+HCOO]-	188.997541	139.6
[M+CH3COO]-	203.013191	167.0
[M+Na-2H]-	164.974006	128.8
[M]+	143.99879142	123.9
[M]-	143.99988858	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe