CID 54768409

Trans-2-(tributyltin)vinylboronic acid mida ester

Structural Information

Molecular Formula
C19H36BNO4Sn
SMILES
B1(OC(=O)CN(CC(=O)O1)C)/C=C/[Sn](CCCC)(CCCC)CCCC
InChI
InChI=1S/C7H9BNO4.3C4H9.Sn/c1-3-8-12-6(10)4-9(2)5-7(11)13-8;3*1-3-4-2;/h1,3H,4-5H2,2H3;3*1,3-4H2,2H3;
InChIKey
UMFJUFYLUPLACI-UHFFFAOYSA-N
Compound name
6-methyl-2-[(E)-2-tributylstannylethenyl]-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.17593 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.18321 185.2
[M+Na]+ 496.16515 188.2
[M-H]- 472.16865 185.9
[M+NH4]+ 491.20975 189.0
[M+K]+ 512.13909 188.2
[M+H-H2O]+ 456.17319 180.3
[M+HCOO]- 518.17413 190.3
[M+CH3COO]- 532.18978 239.5
[M+Na-2H]- 494.15060 182.0
[M]+ 473.17538 187.1
[M]- 473.17648 187.1
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.