CID 16683021

21109-99-9

Structural Information

Molecular Formula
C12H17HgNO2
SMILES
CCN(CC)C1=CC=C(C=C1)[Hg]OC(=O)C
InChI
InChI=1S/C10H14N.C2H4O2.Hg/c1-3-11(4-2)10-8-6-5-7-9-10;1-2(3)4;/h6-9H,3-4H2,1-2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKey
CKZPFIZBRVCMCY-UHFFFAOYSA-M
Compound name
acetyloxy-[4-(diethylamino)phenyl]mercury
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

409.09656 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.10384 189.6
[M+Na]+ 432.08578 194.0
[M-H]- 408.08928 192.8
[M+NH4]+ 427.13038 206.3
[M+K]+ 448.05972 192.3
[M+H-H2O]+ 392.09382 180.6
[M+HCOO]- 454.09476 211.8
[M+CH3COO]- 468.11041 203.7
[M+Na-2H]- 430.07123 189.1
[M]+ 409.09601 193.3
[M]- 409.09711 193.3
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

patents stripe