CID 155973821

Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,1'-bi(cyclopropane)]-2-carboxylate

Structural Information

Molecular Formula
C15H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2C(C2C(=O)OCC)C3CC3
InChI
InChI=1S/C15H25BO4/c1-6-18-13(17)11-10(9-7-8-9)12(11)16-19-14(2,3)15(4,5)20-16/h9-12H,6-8H2,1-5H3
InChIKey
NCVQUOXJXLWUEN-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.19188 163.7
[M+Na]+ 303.17382 171.3
[M-H]- 279.17732 174.7
[M+NH4]+ 298.21842 172.1
[M+K]+ 319.14776 174.1
[M+H-H2O]+ 263.18186 161.0
[M+HCOO]- 325.18280 177.5
[M+CH3COO]- 339.19845 210.5
[M+Na-2H]- 301.15927 164.7
[M]+ 280.18405 173.0
[M]- 280.18515 173.0
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.