CID 71300517

Einecs 304-165-2

Structural Information

Molecular Formula
C17H32O4Pb
SMILES
CCCCC(CC)C(=O)O[Pb]OC(=O)CCCCCC(C)C
InChI
InChI=1S/C9H18O2.C8H16O2.Pb/c1-8(2)6-4-3-5-7-9(10)11;1-3-5-6-7(4-2)8(9)10;/h8H,3-7H2,1-2H3,(H,10,11);7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey
JIBIFMHUBGSXGH-UHFFFAOYSA-L
Compound name
2-ethylhexanoyloxy(7-methyloctanoyloxy)lead
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.2067 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.21398 223.2
[M+Na]+ 531.19592 223.7
[M-H]- 507.19942 220.1
[M+NH4]+ 526.24052 235.6
[M+K]+ 547.16986 221.9
[M+H-H2O]+ 491.20396 214.6
[M+HCOO]- 553.20490 238.3
[M+CH3COO]- 567.22055 218.8
[M+Na-2H]- 529.18137 214.9
[M]+ 508.20615 230.9
[M]- 508.20725 230.9
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

patents stripe