CID 75486749

Ethyl 1,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C14H23BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N(N=C2C(=O)OCC)C)C
InChI
InChI=1S/C14H23BN2O4/c1-8-19-12(18)11-10(9(2)17(7)16-11)15-20-13(3,4)14(5,6)21-15/h8H2,1-7H3
InChIKey
WMBJWPGLLFIVOM-UHFFFAOYSA-N
Compound name
ethyl 1,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17508 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18236 159.7
[M+Na]+ 317.16430 170.0
[M-H]- 293.16780 166.3
[M+NH4]+ 312.20890 178.4
[M+K]+ 333.13824 171.1
[M+H-H2O]+ 277.17234 155.6
[M+HCOO]- 339.17328 178.1
[M+CH3COO]- 353.18893 203.7
[M+Na-2H]- 315.14975 161.0
[M]+ 294.17453 167.3
[M]- 294.17563 167.3
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.