CID 8527

Methoxyhydroxymercuripropylsuccinylurea

Structural Information

Molecular Formula
C9H15HgN2O5
SMILES
COC(CNC(=O)NC(=O)CCC(=O)O)C[Hg]
InChI
InChI=1S/C9H15N2O5.Hg/c1-6(16-2)5-10-9(15)11-7(12)3-4-8(13)14;/h6H,1,3-5H2,2H3,(H,13,14)(H2,10,11,12,15);
InChIKey
QHWYMOJSBVSFRV-UHFFFAOYSA-N
Compound name
[3-(3-carboxypropanoylcarbamoylamino)-2-methoxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.06873 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.07601 194.0
[M+Na]+ 456.05795 195.7
[M-H]- 432.06145 190.8
[M+NH4]+ 451.10255 207.5
[M+K]+ 472.03189 195.2
[M+H-H2O]+ 416.06599 185.6
[M+HCOO]- 478.06693 212.7
[M+CH3COO]- 492.08258 203.3
[M+Na-2H]- 454.04340 190.1
[M]+ 433.06818 195.5
[M]- 433.06928 195.5
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.