CID 46739764

1002128-86-0

Structural Information

Molecular Formula

C₉H₁₄BN₃O₂

SMILES

B(C1=CN=C(N=C1)N2CCCCC2)(O)O

InChI

InChI=1S/C9H14BN3O2/c14-10(15)8-6-11-9(12-7-8)13-4-2-1-3-5-13/h6-7,14-15H,1-5H2

InChIKey

JFPMJXGMHDIKLK-UHFFFAOYSA-N

Compound name

(2-piperidin-1-ylpyrimidin-5-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 207.1179 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]+	208.12518	146.3
[M+Na]+	230.10712	157.6
[M+NH4]+	225.15172	152.9
[M+K]+	246.08106	152.9
[M-H]-	206.11062	147.2
[M+Na-2H]-	228.09257	152.3
[M]+	207.11735	147.8
[M]-	207.11845	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe