CID 16683747

Mercury, (acetato)butyl-

Structural Information

Molecular Formula

C₆H₁₂HgO₂

SMILES

CCCC[Hg]OC(=O)C

InChI

InChI=1S/C4H9.C2H4O2.Hg/c1-3-4-2;1-2(3)4;/h1,3-4H2,2H3;1H3,(H,3,4);/q;;+1/p-1

InChIKey

JICUGUCTXBWHFI-UHFFFAOYSA-M

Compound name

acetyloxy(butyl)mercury

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 318.05438 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	319.06166	166.5
[M+Na]+	341.04360	172.0
[M-H]-	317.04710	165.3
[M+NH4]+	336.08820	186.7
[M+K]+	357.01754	171.2
[M+H-H2O]+	301.05164	159.9
[M+HCOO]-	363.05258	187.5
[M+CH3COO]-	377.06823	181.0
[M+Na-2H]-	339.02905	167.8
[M]+	318.05383	169.8
[M]-	318.05493	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe