CID 45194

Dtxsid90980963

Structural Information

Molecular Formula
C11H13HgO4
SMILES
C1=CC(=CC=C1CC(C[Hg])O)OCC(=O)O
InChI
InChI=1S/C11H13O4.Hg/c1-8(12)6-9-2-4-10(5-3-9)15-7-11(13)14;/h2-5,8,12H,1,6-7H2,(H,13,14);
InChIKey
SWMNYKOSYMDPKU-UHFFFAOYSA-N
Compound name
[3-[4-(carboxymethoxy)phenyl]-2-hydroxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.05203 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.059306 187.2
[M+Na]+ 434.041248 191.4
[M-H]- 410.044754 186.3
[M+NH4]+ 429.085853 201.8
[M+K]+ 450.015188 188.4
[M+H-H2O]+ 394.049290 179.2
[M+HCOO]- 456.050231 204.7
[M+CH3COO]- 470.065881 192.8
[M+Na-2H]- 432.026696 185.7
[M]+ 411.05148142 188.6
[M]- 411.05257858 188.6
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.