CID 16683898

Bis[[(2s)-2-amino-3-hydroxy-3-oxo-propyl]sulfanyl]mercury

Structural Information

Molecular Formula
C6H12HgN2O4S2
SMILES
C([C@H](C(=O)O)N)S[Hg]SC[C@H](C(=O)O)N
InChI
InChI=1S/2C3H7NO2S.Hg/c2*4-2(1-7)3(5)6;/h2*2,7H,1,4H2,(H,5,6);/q;;+2/p-2/t2*2-;/m11./s1
InChIKey
SVRCCJGEYPCELC-JCWNAWFTSA-L
Compound name
bis[[(2S)-2-amino-2-carboxyethyl]sulfanyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.9945 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.00178 188.3
[M+Na]+ 464.98372 188.8
[M-H]- 440.98722 181.6
[M+NH4]+ 460.02832 199.9
[M+K]+ 480.95766 184.0
[M+H-H2O]+ 424.99176 179.6
[M+HCOO]- 486.99270 192.5
[M+CH3COO]- 501.00835 199.8
[M+Na-2H]- 462.96917 180.2
[M]+ 441.99395 186.6
[M]- 441.99505 186.6
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.