CID 56842397

85665-63-0

Structural Information

Molecular Formula
C26H44O10Sn
SMILES
CCCC[Sn](OC(=O)/C=C\C(=O)OCCC(OC)C)(OC(=O)/C=C\C(=O)OCCC(OC)C)CCCC
InChI
InChI=1S/2C9H14O5.2C4H9.Sn/c2*1-7(13-2)5-6-14-9(12)4-3-8(10)11;2*1-3-4-2;/h2*3-4,7H,5-6H2,1-2H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*4-3-;;;
InChIKey
GUTCPQVLAHNWCI-VGKOASNMSA-L
Compound name
4-O-[dibutyl-[(Z)-4-(3-methoxybutoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(3-methoxybutyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

636.1957 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.202976 249.9
[M+Na]+ 659.184918 258.4
[M-H]- 635.188424 253.1
[M+NH4]+ 654.229523 266.3
[M+K]+ 675.158858 257.1
[M+H-H2O]+ 619.192960 252.8
[M+HCOO]- 681.193901 253.6
[M+CH3COO]- 695.209551 248.7
[M+Na-2H]- 657.170366 238.5
[M]+ 636.19515142 251.0
[M]- 636.19624858 251.0
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.