CID 66509459

2223042-85-9

Structural Information

Molecular Formula
C14H23BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(C=C2)C3CCCC3
InChI
InChI=1S/C14H23BN2O2/c1-13(2)14(3,4)19-15(18-13)12-9-10-17(16-12)11-7-5-6-8-11/h9-11H,5-8H2,1-4H3
InChIKey
XIDNTCSNOQUKET-UHFFFAOYSA-N
Compound name
1-cyclopentyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

262.18527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19255 155.6
[M+Na]+ 285.17449 163.5
[M-H]- 261.17799 164.5
[M+NH4]+ 280.21909 176.3
[M+K]+ 301.14843 163.7
[M+H-H2O]+ 245.18253 150.4
[M+HCOO]- 307.18347 173.9
[M+CH3COO]- 321.19912 168.6
[M+Na-2H]- 283.15994 155.7
[M]+ 262.18472 156.3
[M]- 262.18582 156.3
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

patents stripe