CID 16682936

Mercuran

Structural Information

Molecular Formula
C5H10HgO3
SMILES
CC(=O)O[Hg]CCOC
InChI
InChI=1S/C3H7O.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3H2,2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKey
AGJBKFAPBKOEGA-UHFFFAOYSA-M
Compound name
acetyloxy(2-methoxyethyl)mercury
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1
References

4550
Patents

320.03363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.040906 164.7
[M+Na]+ 343.022848 170.5
[M-H]- 319.026354 163.6
[M+NH4]+ 338.067453 184.8
[M+K]+ 358.996788 170.5
[M+H-H2O]+ 303.030890 158.1
[M+HCOO]- 365.031831 186.3
[M+CH3COO]- 379.047481 179.9
[M+Na-2H]- 341.008296 166.6
[M]+ 320.03308142 169.1
[M]- 320.03417858 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe