CID 44226739

2-(ethoxycarbonyl)ethylboronic acid, pinacol ester

Structural Information

Molecular Formula
C11H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)CCC(=O)OCC
InChI
InChI=1S/C11H21BO4/c1-6-14-9(13)7-8-12-15-10(2,3)11(4,5)16-12/h6-8H2,1-5H3
InChIKey
OSBBNOTZLRIDPR-UHFFFAOYSA-N
Compound name
ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

228.15329 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16057 146.5
[M+Na]+ 251.14251 154.4
[M-H]- 227.14601 151.5
[M+NH4]+ 246.18711 168.3
[M+K]+ 267.11645 156.6
[M+H-H2O]+ 211.15055 143.9
[M+HCOO]- 273.15149 166.3
[M+CH3COO]- 287.16714 189.8
[M+Na-2H]- 249.12796 152.0
[M]+ 228.15274 152.6
[M]- 228.15384 152.6
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