CID 52707

Chloro(2-(3-methoxypropionamido)cyclohexyl)mercury

Structural Information

Molecular Formula
C10H18ClHgNO2
SMILES
COCCC(=O)NC1CCCCC1[Hg]Cl
InChI
InChI=1S/C10H18NO2.ClH.Hg/c1-13-8-7-10(12)11-9-5-3-2-4-6-9;;/h5,9H,2-4,6-8H2,1H3,(H,11,12);1H;/q;;+1/p-1
InChIKey
LOCGLABCSWSJMN-UHFFFAOYSA-M
Compound name
chloro-[2-(3-methoxypropanoylamino)cyclohexyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.07324 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.08052 190.8
[M+Na]+ 444.06246 193.5
[M-H]- 420.06596 191.5
[M+NH4]+ 439.10706 207.0
[M+K]+ 460.03640 189.5
[M+H-H2O]+ 404.07050 183.3
[M+HCOO]- 466.07144 204.3
[M+CH3COO]- 480.08709 199.1
[M+Na-2H]- 442.04791 188.8
[M]+ 421.07269 190.2
[M]- 421.07379 190.2
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.