CID 133677255

2409673-74-9

Structural Information

Molecular Formula

C₁₃H₂₁BN₂O₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)N)CC

InChI

InChI=1S/C13H21BN2O2/c1-6-10-9(7-8-11(15)16-10)14-17-12(2,3)13(4,5)18-14/h7-8H,6H2,1-5H3,(H2,15,16)

InChIKey

RUSBIDLYSJVVES-UHFFFAOYSA-N

Compound name

6-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 248.1696 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]+	249.176876	153.7
[M+Na]+	271.158818	163.3
[M-H]-	247.162324	160.8
[M+NH4]+	266.203423	173.2
[M+K]+	287.132758	163.0
[M+H-H2O]+	231.166860	148.3
[M+HCOO]-	293.167801	173.8
[M+CH3COO]-	307.183451	197.1
[M+Na-2H]-	269.144266	158.4
[M]+	248.16905142	156.1
[M]-	248.17014858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe