CID 11379045

1-ethyl-1h-pyrazole-4-boronic acid, pinacol ester

Structural Information

Molecular Formula
C11H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)CC
InChI
InChI=1S/C11H19BN2O2/c1-6-14-8-9(7-13-14)12-15-10(2,3)11(4,5)16-12/h7-8H,6H2,1-5H3
InChIKey
UGCRHVPUHAXAAE-UHFFFAOYSA-N
Compound name
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1122
Patents

222.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16124 143.4
[M+Na]+ 245.14318 153.5
[M-H]- 221.14668 149.6
[M+NH4]+ 240.18778 164.6
[M+K]+ 261.11712 154.3
[M+H-H2O]+ 205.15122 138.5
[M+HCOO]- 267.15216 163.3
[M+CH3COO]- 281.16781 188.6
[M+Na-2H]- 243.12863 147.9
[M]+ 222.15341 147.5
[M]- 222.15451 147.5
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