CID 56844077

(neononanoato-o)(neoundecanoato-o)lead

Structural Information

Molecular Formula
C20H38O4Pb
SMILES
CC(C)(C)CCCCCCC(=O)O[Pb]OC(=O)CCCCC(C)(C)C
InChI
InChI=1S/C11H22O2.C9H18O2.Pb/c1-11(2,3)9-7-5-4-6-8-10(12)13;1-9(2,3)7-5-4-6-8(10)11;/h4-9H2,1-3H3,(H,12,13);4-7H2,1-3H3,(H,10,11);/q;;+2/p-2
InChIKey
JUGLKTZTGWYCLS-UHFFFAOYSA-L
Compound name
6,6-dimethylheptanoyloxy(8,8-dimethylnonanoyloxy)lead
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

550.25366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.26094 234.6
[M+Na]+ 573.24288 235.3
[M-H]- 549.24638 231.7
[M+NH4]+ 568.28748 242.9
[M+K]+ 589.21682 232.9
[M+H-H2O]+ 533.25092 226.8
[M+HCOO]- 595.25186 249.7
[M+CH3COO]- 609.26751 225.4
[M+Na-2H]- 571.22833 229.5
[M]+ 550.25311 243.7
[M]- 550.25421 243.7
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.