CID 56776730

1233526-60-7

Structural Information

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

91
Patents

262.18527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.19255 157.0
[M+Na]+ 285.17449 166.8
[M+NH4]+ 280.21909 167.4
[M+K]+ 301.14843 164.2
[M-H]- 261.17799 162.4
[M+Na-2H]- 283.15994 163.5
[M]+ 262.18472 160.1
[M]- 262.18582 160.1
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