CID 43811067

2-aminopyridine-3-boronic acid, pinacol ester

Structural Information

Molecular Formula

C₁₁H₁₇BN₂O₂

SMILES

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

InChI

InChI=1S/C11H17BN2O2/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-14-9(8)13/h5-7H,1-4H3,(H2,13,14)

InChIKey

FSJAKASJCJZKET-UHFFFAOYSA-N

Compound name

3-(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: 253
Patents: 220.1383 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]+	221.145576	145.2
[M+Na]+	243.127518	154.8
[M-H]-	219.131024	152.4
[M+NH4]+	238.172123	165.5
[M+K]+	259.101458	154.9
[M+H-H2O]+	203.135560	139.9
[M+HCOO]-	265.136501	166.0
[M+CH3COO]-	279.152151	189.9
[M+Na-2H]-	241.112966	151.6
[M]+	220.13775142	146.5
[M]-	220.13884858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe