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 199.7
[M+Na]+ 613.00012 198.9
[M-H]- 589.00362 197.2
[M+NH4]+ 608.04472 223.6
[M+K]+ 628.97406 208.6
[M+H-H2O]+ 573.00816 193.2
[M+HCOO]- 635.00910 232.4
[M+CH3COO]- 649.02475 216.3
[M+Na-2H]- 610.98557 198.4
[M]+ 590.01035 200.4
[M]- 590.01145 200.4
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.