CID 16684018

15853-77-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

548.14325 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.15053 229.6
[M+Na]+ 571.13247 239.0
[M-H]- 547.13597 230.2
[M+NH4]+ 566.17707 241.6
[M+K]+ 587.10641 235.2
[M+H-H2O]+ 531.14051 231.7
[M+HCOO]- 593.14145 240.0
[M+CH3COO]- 607.15710 232.0
[M+Na-2H]- 569.11792 219.7
[M]+ 548.14270 229.8
[M]- 548.14380 229.8
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

patents stripe