CID 71300516

(2-ethylhexanoato-o)(isooctanoato-o)lead

Structural Information

Molecular Formula
C16H30O4Pb
SMILES
CCCCC(CC)C(=O)O[Pb]OC(=O)CCCCC(C)C
InChI
InChI=1S/2C8H16O2.Pb/c1-7(2)5-3-4-6-8(9)10;1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey
XXXGPKZMXXKZTB-UHFFFAOYSA-L
Compound name
2-ethylhexanoyloxy(6-methylheptanoyloxy)lead
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.19107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.19835 218.6
[M+Na]+ 517.18029 219.5
[M-H]- 493.18379 215.7
[M+NH4]+ 512.22489 231.6
[M+K]+ 533.15423 217.9
[M+H-H2O]+ 477.18833 210.2
[M+HCOO]- 539.18927 234.0
[M+CH3COO]- 553.20492 215.9
[M+Na-2H]- 515.16574 210.9
[M]+ 494.19052 225.9
[M]- 494.19162 225.9
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.