CID 16684024

17036-31-6

Structural Information

Molecular Formula
C32H56O8Sn
SMILES
CCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCC)(CCCC)CCCC
InChI
InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14;2*1-3-4-2;/h2*8-9H,2-7,10H2,1H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*9-8-;;;
InChIKey
OSILQYMASGMTIY-WFTKVDHJSA-L
Compound name
4-O-[dibutyl-[(Z)-4-octoxy-4-oxobut-2-enoyl]oxystannyl] 1-O-octyl (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

32
Patents

688.29974 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.307016 264.6
[M+Na]+ 711.288958 272.2
[M-H]- 687.292464 261.4
[M+NH4]+ 706.333563 276.3
[M+K]+ 727.262898 272.5
[M+H-H2O]+ 671.297000 265.4
[M+HCOO]- 733.297941 270.9
[M+CH3COO]- 747.313591 260.1
[M+Na-2H]- 709.274406 250.2
[M]+ 688.29919142 264.5
[M]- 688.30028858 264.5
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