CID 16683073

15546-11-9

Structural Information

Molecular Formula
C18H28O8Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OC)(OC(=O)/C=C\C(=O)OC)CCCC
InChI
InChI=1S/2C5H6O4.2C4H9.Sn/c2*1-9-5(8)3-2-4(6)7;2*1-3-4-2;/h2*2-3H,1H3,(H,6,7);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*3-2-;;;
InChIKey
WNDWDJLPMLWBHW-UDVCPWNYSA-L
Compound name
4-O-[dibutyl-[(Z)-4-methoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-methyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

624
Patents

492.08063 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.08791 198.8
[M+Na]+ 515.06985 201.7
[M+NH4]+ 510.11445 204.0
[M+K]+ 531.04379 199.2
[M-H]- 491.07335 195.6
[M+Na-2H]- 513.05530 205.5
[M]+ 492.08008 198.5
[M]- 492.08118 198.5
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