CID 44892

63868-98-4

Structural Information

Molecular Formula
C12H14HgNO5
SMILES
COC1=CC=C(C=C1)C(=O)N(CC(C[Hg])O)C(=O)O
InChI
InChI=1S/C12H14NO5.Hg/c1-8(14)7-13(12(16)17)11(15)9-3-5-10(18-2)6-4-9;/h3-6,8,14H,1,7H2,2H3,(H,16,17);
InChIKey
ZJGJLPLGTJGTLV-UHFFFAOYSA-N
Compound name
[3-[carboxy-(4-methoxybenzoyl)amino]-2-hydroxypropyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.05783 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.065106 197.0
[M+Na]+ 477.047048 200.0
[M-H]- 453.050554 197.5
[M+NH4]+ 472.091653 210.0
[M+K]+ 493.020988 199.0
[M+H-H2O]+ 437.055090 188.3
[M+HCOO]- 499.056031 215.1
[M+CH3COO]- 513.071681 205.3
[M+Na-2H]- 475.032496 193.5
[M]+ 454.05728142 199.2
[M]- 454.05837858 199.2
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.