CID 16683031

Mercury(ii), bis(3-mercapto-dl-valinato)-

Structural Information

Molecular Formula
C10H20HgN2O4S2
SMILES
CC(C)(C(C(=O)O[Hg]OC(=O)C(C(C)(C)S)N)N)S
InChI
InChI=1S/2C5H11NO2S.Hg/c2*1-5(2,9)3(6)4(7)8;/h2*3,9H,6H2,1-2H3,(H,7,8);/q;;+2/p-2
InChIKey
QPLALUKGYIXJLM-UHFFFAOYSA-L
Compound name
bis[(2-amino-3-methyl-3-sulfanylbutanoyl)oxy]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.0571 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.06438 206.5
[M+Na]+ 521.04632 206.8
[M-H]- 497.04982 202.4
[M+NH4]+ 516.09092 217.6
[M+K]+ 537.02026 204.1
[M+H-H2O]+ 481.05436 198.0
[M+HCOO]- 543.05530 209.7
[M+CH3COO]- 557.07095 215.3
[M+Na-2H]- 519.03177 199.8
[M]+ 498.05655 208.8
[M]- 498.05765 208.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.