CID 45088929

756817-82-0

Structural Information

Molecular Formula

C₆H₁₀BN₃O₂

SMILES

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

InChI

InChI=1S/C6H10BN3O2/c1-10(2)6-8-3-5(4-9-6)7(11)12/h3-4,11-12H,1-2H3

InChIKey

JHGMROYFIMQNCI-UHFFFAOYSA-N

Compound name

[2-(dimethylamino)pyrimidin-5-yl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 165
Patents: 167.08661 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]+	168.09389	133.2
[M+Na]+	190.07583	140.6
[M-H]-	166.07933	133.3
[M+NH4]+	185.12043	150.1
[M+K]+	206.04977	140.0
[M+H-H2O]+	150.08387	126.0
[M+HCOO]-	212.08481	153.9
[M+CH3COO]-	226.10046	179.3
[M+Na-2H]-	188.06128	139.5
[M]+	167.08606	132.7
[M]-	167.08716	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe