CID 16684053

22535-42-8

Structural Information

Molecular Formula
C22H36O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OC(C)C)(OC(=O)/C=C\C(=O)OC(C)C)CCCC
InChI
InChI=1S/2C7H10O4.2C4H9.Sn/c2*1-5(2)11-7(10)4-3-6(8)9;2*1-3-4-2;/h2*3-5H,1-2H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;
InChIKey
QWKDQXNGJACGFP-VGKOASNMSA-L
Compound name
4-O-[dibutyl-[(Z)-4-oxo-4-propan-2-yloxybut-2-enoyl]oxystannyl] 1-O-propan-2-yl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

548.14325 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.15053 228.7
[M+Na]+ 571.13247 239.1
[M-H]- 547.13597 232.3
[M+NH4]+ 566.17707 243.9
[M+K]+ 587.10641 236.4
[M+H-H2O]+ 531.14051 231.9
[M+HCOO]- 593.14145 234.4
[M+CH3COO]- 607.15710 233.6
[M+Na-2H]- 569.11792 220.1
[M]+ 548.14270 229.3
[M]- 548.14380 229.3
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