CID 56843398

Einecs 298-578-4

Structural Information

Molecular Formula
C20H24O12Sn2
SMILES
CCCC[Sn]1(OC(=O)C=CC(=O)O1)OC(=O)/C=C\C(=O)O[Sn]2(OC(=O)C=CC(=O)O2)CCCC
InChI
InChI=1S/3C4H4O4.2C4H9.2Sn/c3*5-3(6)1-2-4(7)8;2*1-3-4-2;;/h3*1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;;/q;;;;;2*+3/p-6/b2-1-;;;;;;
InChIKey
BMASLOOHTMQIGP-PJARZLKDSA-H
Compound name
bis(2-butyl-4,7-dioxo-1,3,2-dioxastannepin-2-yl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

695.93115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 696.938426 226.7
[M+Na]+ 718.920368 229.1
[M-H]- 694.923874 234.7
[M+NH4]+ 713.964973 229.4
[M+K]+ 734.894308 236.6
[M+H-H2O]+ 678.928410 219.7
[M+HCOO]- 740.929351 236.5
[M+CH3COO]- 754.945001 240.6
[M+Na-2H]- 716.905816 225.6
[M]+ 695.93060142 231.0
[M]- 695.93169858 231.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.