CID 53407669

1174312-53-8

Structural Information

Molecular Formula

C₉H₁₄BNO₂

SMILES

B(C1=CN=C(C=C1)C(C)(C)C)(O)O

InChI

InChI=1S/C9H14BNO2/c1-9(2,3)8-5-4-7(6-11-8)10(12)13/h4-6,12-13H,1-3H3

InChIKey

YPVRENWHCBDGTR-UHFFFAOYSA-N

Compound name

(6-tert-butylpyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 179.11176 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]+	180.11904	138.9
[M+Na]+	202.10098	146.3
[M-H]-	178.10448	138.8
[M+NH4]+	197.14558	156.7
[M+K]+	218.07492	144.3
[M+H-H2O]+	162.10902	133.5
[M+HCOO]-	224.10996	156.8
[M+CH3COO]-	238.12561	176.8
[M+Na-2H]-	200.08643	144.6
[M]+	179.11121	138.0
[M]-	179.11231	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe