CID 91667978

Chlormerodrin hg 197

Structural Information

Molecular Formula
C5H11HgN2O2
SMILES
COC(CNC(=O)N)C[197Hg+]
InChI
InChI=1S/C5H11N2O2.Hg/c1-4(9-2)3-7-5(6)8;/h4H,1,3H2,2H3,(H3,6,7,8);/q;+1/i;1-4
InChIKey
IJCITOQWOMWZIG-JWFOFJTQSA-N
Compound name
[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

328.04926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05654 167.7
[M+Na]+ 351.03848 171.7
[M-H]- 327.04198 166.4
[M+NH4]+ 346.08308 185.9
[M+K]+ 367.01242 165.7
[M+H-H2O]+ 311.04652 163.2
[M+HCOO]- 373.04746 189.3
[M+CH3COO]- 387.06311 180.4
[M+Na-2H]- 349.02393 170.1
[M]+ 328.04871 165.9
[M]- 328.04981 165.9
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.