CID 23553751

1009307-13-4

Structural Information

Molecular Formula
C11H19BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(=O)OCC
InChI
InChI=1S/C11H19BO4/c1-6-14-9(13)7-8-12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3/b8-7+
InChIKey
ZXDDITJXZPTHFE-BQYQJAHWSA-N
Compound name
ethyl (E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

682
Patents

226.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.14491 149.1
[M+Na]+ 249.12685 158.2
[M+NH4]+ 244.17145 158.1
[M+K]+ 265.10079 152.8
[M-H]- 225.13035 151.0
[M+Na-2H]- 247.11230 153.1
[M]+ 226.13708 151.0
[M]- 226.13818 151.0
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

patents stripe