CID 16684382

Acetoxy(2-propoxyethyl)mercury

Structural Information

Molecular Formula
C7H14HgO3
SMILES
CCCOCC[Hg]OC(=O)C
InChI
InChI=1S/C5H11O.C2H4O2.Hg/c1-3-5-6-4-2;1-2(3)4;/h2-5H2,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKey
IULPBGBGTXFJNE-UHFFFAOYSA-M
Compound name
acetyloxy(2-propoxyethyl)mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.06494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07222 174.0
[M+Na]+ 371.05416 179.0
[M-H]- 347.05766 172.6
[M+NH4]+ 366.09876 193.0
[M+K]+ 387.02810 178.5
[M+H-H2O]+ 331.06220 167.0
[M+HCOO]- 393.06314 195.0
[M+CH3COO]- 407.07879 185.9
[M+Na-2H]- 369.03961 174.8
[M]+ 348.06439 179.2
[M]- 348.06549 179.2
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