CID 25210

Chlormerodrin

Structural Information

Molecular Formula
C5H11ClHgN2O2
SMILES
COC(CNC(=O)N)C[Hg]Cl
InChI
InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1
InChIKey
BJFGVYCULWBXKF-UHFFFAOYSA-M
Compound name
[3-(carbamoylamino)-2-methoxypropyl]-chloromercury
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

623
References

1398
Patents

368.02155 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02883 176.1
[M+Na]+ 391.01077 180.7
[M-H]- 367.01427 174.3
[M+NH4]+ 386.05537 194.0
[M+K]+ 406.98471 177.9
[M+H-H2O]+ 351.01881 169.6
[M+HCOO]- 413.01975 193.4
[M+CH3COO]- 427.03540 191.7
[M+Na-2H]- 388.99622 175.5
[M]+ 368.02100 177.5
[M]- 368.02210 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe