CID 71301304

(isononanoato-o)(neodecanoato-o)lead

Structural Information

Molecular Formula
C19H36O4Pb
SMILES
CC(C)CCCCCC(=O)O[Pb]OC(=O)CCCCCC(C)(C)C
InChI
InChI=1S/C10H20O2.C9H18O2.Pb/c1-10(2,3)8-6-4-5-7-9(11)12;1-8(2)6-4-3-5-7-9(10)11;/h4-8H2,1-3H3,(H,11,12);8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
InChIKey
LQBJFFWIUGXYQH-UHFFFAOYSA-L
Compound name
7,7-dimethyloctanoyloxy(7-methyloctanoyloxy)lead
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

536.23804 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.24532 231.2
[M+Na]+ 559.22726 231.6
[M-H]- 535.23076 228.0
[M+NH4]+ 554.27186 242.4
[M+K]+ 575.20120 229.3
[M+H-H2O]+ 519.23530 222.9
[M+HCOO]- 581.23624 246.1
[M+CH3COO]- 595.25189 223.5
[M+Na-2H]- 557.21271 224.2
[M]+ 536.23749 239.8
[M]- 536.23859 239.8
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.