CID 59278796

4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester

Structural Information

Molecular Formula
C15H25BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)C(=O)OCC
InChI
InChI=1S/C15H25BO4/c1-6-18-13(17)11-7-9-12(10-8-11)16-19-14(2,3)15(4,5)20-16/h9,11H,6-8,10H2,1-5H3
InChIKey
ZREZDODZGZVRBD-UHFFFAOYSA-N
Compound name
ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

498
Patents

280.1846 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.19188 161.6
[M+Na]+ 303.17382 168.2
[M-H]- 279.17732 169.4
[M+NH4]+ 298.21842 181.1
[M+K]+ 319.14776 169.4
[M+H-H2O]+ 263.18186 157.5
[M+HCOO]- 325.18280 178.7
[M+CH3COO]- 339.19845 199.3
[M+Na-2H]- 301.15927 164.3
[M]+ 280.18405 164.2
[M]- 280.18515 164.2
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