CID 89734494

1449662-73-0

Structural Information

Molecular Formula
C14H23BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(C2)C(=O)OCC
InChI
InChI=1S/C14H23BO4/c1-6-17-12(16)10-7-8-11(9-10)15-18-13(2,3)14(4,5)19-15/h8,10H,6-7,9H2,1-5H3
InChIKey
NQDQOMMNFDVLDG-UHFFFAOYSA-N
Compound name
ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopent-3-ene-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

No literature data available for this compound.

Patent stripe

patents stripe