CID 33542

Mercuderamid

Structural Information

Molecular Formula

C₁₂H₁₄HgNO₅

SMILES

COC1=CC=CC=C1C(=O)N(CC(C[Hg+])O)C(=O)O

InChI

InChI=1S/C12H14NO5.Hg/c1-8(14)7-13(12(16)17)11(15)9-5-3-4-6-10(9)18-2;/h3-6,8,14H,1,7H2,2H3,(H,16,17);/q;+1

InChIKey

ZNZJJCLTHQENAO-UHFFFAOYSA-N

Compound name

[3-[carboxy-(2-methoxybenzoyl)amino]-2-hydroxypropyl]mercury(1+)

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 454.05783 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]+	455.065106	197.9
[M+Na]+	477.047048	200.8
[M-H]-	453.050554	198.7
[M+NH4]+	472.091653	210.6
[M+K]+	493.020988	194.1
[M+H-H2O]+	437.055090	192.0
[M+HCOO]-	499.056031	215.7
[M+CH3COO]-	513.071681	197.5
[M+Na-2H]-	475.032496	196.8
[M]+	454.05728142	198.6
[M]-	454.05837858	198.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.