CID 101270342

Ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-1-ene-1-carboxylate

Structural Information

Molecular Formula
C14H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(CCC2)C(=O)OCC
InChI
InChI=1S/C14H23BO4/c1-6-17-12(16)10-8-7-9-11(10)15-18-13(2,3)14(4,5)19-15/h6-9H2,1-5H3
InChIKey
ANWBJZTUHNMKDO-UHFFFAOYSA-N
Compound name
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.16895 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.17623 156.6
[M+Na]+ 289.15817 164.3
[M-H]- 265.16167 164.9
[M+NH4]+ 284.20277 178.5
[M+K]+ 305.13211 165.4
[M+H-H2O]+ 249.16621 154.0
[M+HCOO]- 311.16715 176.1
[M+CH3COO]- 325.18280 196.2
[M+Na-2H]- 287.14362 158.8
[M]+ 266.16840 160.9
[M]- 266.16950 160.9
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