CID 44152168

108537-06-0

Structural Information

Molecular Formula
C42H76O8Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OC(CCCCCCC)C)(OC(=O)/C=C\C(=O)OC(CCCCCCC)C)CCCCCCCC
InChI
InChI=1S/2C13H22O4.2C8H17.Sn/c2*1-3-4-5-6-7-8-11(2)17-13(16)10-9-12(14)15;2*1-3-5-7-8-6-4-2;/h2*9-11H,3-8H2,1-2H3,(H,14,15);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*10-9-;;;
InChIKey
PQZLYPKQMIVBCY-BGSQTJHASA-L
Compound name
1-O-nonan-2-yl 4-O-[[(Z)-4-nonan-2-yloxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.45624 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.463516 295.9
[M+Na]+ 851.445458 302.9
[M-H]- 827.448964 292.0
[M+NH4]+ 846.490063 310.7
[M+K]+ 867.419398 308.3
[M+H-H2O]+ 811.453500 296.9
[M+HCOO]- 873.454441 293.5
[M+CH3COO]- 887.470091 288.2
[M+Na-2H]- 849.430906 278.9
[M]+ 828.45569142 296.8
[M]- 828.45678858 296.8
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.