CID 57826676

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

Structural Information

Molecular Formula
C11H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2C)C
InChI
InChI=1S/C11H19BN2O2/c1-8-7-13-14(6)9(8)12-15-10(2,3)11(4,5)16-12/h7H,1-6H3
InChIKey
NOZSCXDKBYFTBH-UHFFFAOYSA-N
Compound name
1,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

416
Patents

222.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.161236 142.3
[M+Na]+ 245.143178 153.4
[M-H]- 221.146684 148.9
[M+NH4]+ 240.187783 163.9
[M+K]+ 261.117118 154.1
[M+H-H2O]+ 205.151220 137.9
[M+HCOO]- 267.152161 162.2
[M+CH3COO]- 281.167811 189.9
[M+Na-2H]- 243.128626 146.3
[M]+ 222.15341142 146.9
[M]- 222.15450858 146.9
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