CID 66825277

1416786-06-5

Structural Information

Molecular Formula

C₈H₁₃BN₂O₂

SMILES

B(C1=CN(N=C1)C2CCCC2)(O)O

InChI

InChI=1S/C8H13BN2O2/c12-9(13)7-5-10-11(6-7)8-3-1-2-4-8/h5-6,8,12-13H,1-4H2

InChIKey

ZDKOFAUNSVRUKJ-UHFFFAOYSA-N

Compound name

(1-cyclopentylpyrazol-4-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 180.10701 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.11429	138.5
[M+Na]+	203.09623	144.6
[M-H]-	179.09973	139.9
[M+NH4]+	198.14083	157.6
[M+K]+	219.07017	142.8
[M+H-H2O]+	163.10427	131.4
[M+HCOO]-	225.10521	157.1
[M+CH3COO]-	239.12086	173.7
[M+Na-2H]-	201.08168	139.4
[M]+	180.10646	134.4
[M]-	180.10756	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe