CID 30006

Mercaptomerin

Structural Information

Molecular Formula
C14H24HgNO4
SMILES
CC1(C(CCC1(C)C(=O)O)C(=O)NCC(C[Hg+])OC)C
InChI
InChI=1S/C14H24NO4.Hg/c1-9(19-5)8-15-11(16)10-6-7-14(4,12(17)18)13(10,2)3;/h9-10H,1,6-8H2,2-5H3,(H,15,16)(H,17,18);/q;+1
InChIKey
FYNUKUFVEYWLTG-UHFFFAOYSA-N
Compound name
[3-[(3-carboxy-2,2,3-trimethylcyclopentanecarbonyl)amino]-2-methoxypropyl]mercury(1+)
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

72
References

141
Patents

472.14117 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.14845 194.4
[M+Na]+ 495.13039 200.6
[M+NH4]+ 490.17499 202.1
[M+K]+ 511.10433 195.2
[M-H]- 471.13389 193.9
[M+Na-2H]- 493.11584 195.9
[M]+ 472.14062 195.1
[M]- 472.14172 195.1
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.