CID 43811068

1073354-99-0

Structural Information

Molecular Formula

C₁₁H₁₇BN₂O₂

SMILES

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

InChI

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

InChIKey

DAISWHFZWZZBBD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 255
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]+	221.14558	146.1
[M+Na]+	243.12752	158.0
[M+NH4]+	238.17212	156.7
[M+K]+	259.10146	151.5
[M-H]-	219.13102	151.9
[M+Na-2H]-	241.11297	154.2
[M]+	220.13775	149.7
[M]-	220.13885	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe