CID 71300519

Einecs 304-167-3

Structural Information

Molecular Formula
C18H34O4Pb
SMILES
CCCCC(CC)C(=O)O[Pb]OC(=O)CCCCCC(C)(C)C
InChI
InChI=1S/C10H20O2.C8H16O2.Pb/c1-10(2,3)8-6-4-5-7-9(11)12;1-3-5-6-7(4-2)8(9)10;/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey
OLQFFKPSKUTQIA-UHFFFAOYSA-L
Compound name
7,7-dimethyloctanoyloxy(2-ethylhexanoyloxy)lead
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.22235 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.22963 226.7
[M+Na]+ 545.21157 227.5
[M-H]- 521.21507 223.7
[M+NH4]+ 540.25617 238.8
[M+K]+ 561.18551 225.4
[M+H-H2O]+ 505.21961 218.5
[M+HCOO]- 567.22055 242.8
[M+CH3COO]- 581.23620 220.6
[M+Na-2H]- 543.19702 220.2
[M]+ 522.22180 234.9
[M]- 522.22290 234.9
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.