CID 56844077

Einecs 299-764-8

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 222.1
[M+Na]+ 573.24288 226.6
[M+NH4]+ 568.28748 205.8
[M+K]+ 589.21682 201.5
[M-H]- 549.24638 217.3
[M+Na-2H]- 571.22833 218.5
[M]+ 550.25311 221.0
[M]- 550.25421 221.0
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.