CID 2756555

827614-64-2

Structural Information

Molecular Formula

C₁₁H₁₇BN₂O₂

SMILES

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

InChI

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

InChIKey

YFTAUNOLAHRUIE-UHFFFAOYSA-N

Compound name

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: 2410
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	145.2
[M+Na]+	243.12752	154.8
[M-H]-	219.13102	152.4
[M+NH4]+	238.17212	165.5
[M+K]+	259.10146	154.9
[M+H-H2O]+	203.13556	139.9
[M+HCOO]-	265.13650	166.0
[M+CH3COO]-	279.15215	189.9
[M+Na-2H]-	241.11297	151.6
[M]+	220.13775	146.5
[M]-	220.13885	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe