CID 146160061

Tripotassium bismuth dicitrate

Structural Information

Molecular Formula
C12H13BiO14
SMILES
C1C(=O)O[Bi](OC(=O)C1(CC(=O)O)O)OC(=O)C(CC(=O)O)(CC(=O)O)O
InChI
InChI=1S/2C6H8O7.Bi/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-3
InChIKey
KNOSZBQOKCZXTI-UHFFFAOYSA-K
Compound name
3-[[5-(carboxymethyl)-5-hydroxy-4,7-dioxo-1,3,2-dioxabismepan-2-yl]oxycarbonyl]-3-hydroxypentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

590.0109 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 591.01818 200.6
[M+Na]+ 613.00012 199.6
[M+NH4]+ 608.04472 193.9
[M+K]+ 628.97406 203.9
[M-H]- 589.00362 193.0
[M+Na-2H]- 610.98557 193.8
[M]+ 590.01035 197.2
[M]- 590.01145 197.2
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.