CID 17439

Methylmercury 2,3-dihydroxypropylmercaptide

Structural Information

Molecular Formula

C₄H₁₀HgO₂S

SMILES

C[Hg]SCC(CO)O

InChI

InChI=1S/C3H8O2S.CH3.Hg/c4-1-3(5)2-6;;/h3-6H,1-2H2;1H3;/q;;+1/p-1

InChIKey

SGPCGQHSTZVQMA-UHFFFAOYSA-M

Compound name

2,3-dihydroxypropylsulfanyl(methyl)mercury

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 324.0108 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]+	325.01808	165.2
[M+Na]+	347.00002	170.1
[M-H]-	323.00352	161.4
[M+NH4]+	342.04462	184.1
[M+K]+	362.97396	167.3
[M+H-H2O]+	307.00806	158.9
[M+HCOO]-	369.00900	178.1
[M+CH3COO]-	383.02465	175.0
[M+Na-2H]-	344.98547	163.2
[M]+	324.01025	166.7
[M]-	324.01135	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe