CID 72213463

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

Structural Information

Molecular Formula
C12H19BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NN2)C(=O)OCC
InChI
InChI=1S/C12H19BN2O4/c1-6-17-10(16)8-7-9(15-14-8)13-18-11(2,3)12(4,5)19-13/h7H,6H2,1-5H3,(H,14,15)
InChIKey
JNESQBVKELBKJY-UHFFFAOYSA-N
Compound name
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15108 154.4
[M+Na]+ 289.13302 163.4
[M-H]- 265.13652 159.2
[M+NH4]+ 284.17762 172.8
[M+K]+ 305.10696 164.0
[M+H-H2O]+ 249.14106 149.9
[M+HCOO]- 311.14200 172.0
[M+CH3COO]- 325.15765 192.8
[M+Na-2H]- 287.11847 157.2
[M]+ 266.14325 158.6
[M]- 266.14435 158.6
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.