CID 49866810

S-methylmercury-l-cysteine

Structural Information

Molecular Formula
C4H9HgNO2S
SMILES
C[Hg]SC[C@@H](C(=O)O)N
InChI
InChI=1S/C3H7NO2S.CH3.Hg/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H3;/q;;+1/p-1/t2-;;/m0../s1
InChIKey
OMYFBIZVJYGJJA-JIZZDEOASA-M
Compound name
[(2R)-2-amino-2-carboxyethyl]sulfanyl-methylmercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

337.00604 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01332 168.3
[M+Na]+ 359.99526 172.6
[M-H]- 335.99876 165.2
[M+NH4]+ 355.03986 186.5
[M+K]+ 375.96920 170.1
[M+H-H2O]+ 320.00330 161.2
[M+HCOO]- 382.00424 182.1
[M+CH3COO]- 396.01989 181.8
[M+Na-2H]- 357.98071 164.8
[M]+ 337.00549 168.4
[M]- 337.00659 168.4
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

patents stripe