CID 4192667

321724-19-0

Structural Information

Molecular Formula

C₁₀H₁₅BN₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=CN=C2

InChI

InChI=1S/C10H15BN2O2/c1-9(2)10(3,4)15-11(14-9)8-5-12-7-13-6-8/h5-7H,1-4H3

InChIKey

WSRGGSAGSUEJKQ-UHFFFAOYSA-N

Compound name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 715
Patents: 206.12267 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]+	207.12995	141.9
[M+Na]+	229.11189	155.0
[M+NH4]+	224.15649	152.5
[M+K]+	245.08583	148.2
[M-H]-	205.11539	146.8
[M+Na-2H]-	227.09734	150.7
[M]+	206.12212	145.5
[M]-	206.12322	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe