CID 16684012

15571-59-2

Structural Information

Molecular Formula
C32H56O8Sn
SMILES
CCCCCCCC[Sn](OC(=O)/C=C\C(=O)OCC(C)C)(OC(=O)/C=C\C(=O)OCC(C)C)CCCCCCCC
InChI
InChI=1S/2C8H12O4.2C8H17.Sn/c2*1-6(2)5-12-8(11)4-3-7(9)10;2*1-3-5-7-8-6-4-2;/h2*3-4,6H,5H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;
InChIKey
LHLONJLCNOUWLO-VGKOASNMSA-L
Compound name
4-O-[[(Z)-4-(2-methylpropoxy)-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-(2-methylpropyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

688.29974 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.307016 263.4
[M+Na]+ 711.288958 272.1
[M-H]- 687.292464 263.2
[M+NH4]+ 706.333563 278.3
[M+K]+ 727.262898 273.4
[M+H-H2O]+ 671.297000 265.4
[M+HCOO]- 733.297941 265.0
[M+CH3COO]- 747.313591 261.5
[M+Na-2H]- 709.274406 250.4
[M]+ 688.29919142 263.9
[M]- 688.30028858 263.9
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

No patent data available for this compound.