CID 16217654

Tert-butyl 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole-1-carboxylate

Structural Information

Molecular Formula
C14H23BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23BN2O4/c1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h8-9H,1-7H3
InChIKey
IPISOFJLWYBCAV-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2509
Patents

294.17508 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18236 161.3
[M+Na]+ 317.16430 170.4
[M-H]- 293.16780 167.6
[M+NH4]+ 312.20890 179.7
[M+K]+ 333.13824 172.1
[M+H-H2O]+ 277.17234 157.4
[M+HCOO]- 339.17328 178.3
[M+CH3COO]- 353.18893 200.3
[M+Na-2H]- 315.14975 165.1
[M]+ 294.17453 167.4
[M]- 294.17563 167.4
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