CID 511713

Hgdurd

Structural Information

Molecular Formula
C9H11HgN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[Hg+])CO)O
InChI
InChI=1S/C9H11N2O5.Hg/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15;/h2,5-6,8,12-13H,3-4H2,(H,10,14,15);/q;+1/t5-,6+,8+;/m0./s1
InChIKey
DLPOXRGMINDBSE-OERIEOFYSA-N
Compound name
[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]mercury(1+)
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

429.03745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.04473 187.5
[M+Na]+ 452.02667 195.2
[M-H]- 428.03017 188.2
[M+NH4]+ 447.07127 198.8
[M+K]+ 468.00061 185.9
[M+H-H2O]+ 412.03471 181.6
[M+HCOO]- 474.03565 201.8
[M+CH3COO]- 488.05130 184.1
[M+Na-2H]- 450.01212 188.1
[M]+ 429.03690 185.5
[M]- 429.03800 185.5
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.