CID 16683224

Schembl31556024

Structural Information

Molecular Formula
C26H48O4Sn
SMILES
CCCCCCCC[Sn](O/C(=C\C(=O)C)/C)(O/C(=C\C(=O)C)/C)CCCCCCCC
InChI
InChI=1S/2C8H17.2C5H8O2.Sn/c2*1-3-5-7-8-6-4-2;2*1-4(6)3-5(2)7;/h2*1,3-8H2,2H3;2*3,6H,1-2H3;/q;;;;+2/p-2/b;;2*4-3-;
InChIKey
DWFTUCRSVZJWIV-DERJAXIWSA-L
Compound name
(Z)-4-[dioctyl-[(Z)-4-oxopent-2-en-2-yl]oxystannyl]oxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

544.25745 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 545.26473 235.9
[M+Na]+ 567.24667 245.4
[M-H]- 543.25017 230.5
[M+NH4]+ 562.29127 244.0
[M+K]+ 583.22061 244.6
[M+H-H2O]+ 527.25471 236.7
[M+HCOO]- 589.25565 242.7
[M+CH3COO]- 603.27130 240.0
[M+Na-2H]- 565.23212 224.8
[M]+ 544.25690 236.0
[M]- 544.25800 236.0
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.