CID 44754864

[6-(propan-2-yloxy)pyridin-3-yl]boronic acid

Structural Information

Molecular Formula

C₈H₁₂BNO₃

SMILES

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

InChI

InChI=1S/C8H12BNO3/c1-6(2)13-8-4-3-7(5-10-8)9(11)12/h3-6,11-12H,1-2H3

InChIKey

SGEOBUJTURUUJE-UHFFFAOYSA-N

Compound name

(6-propan-2-yloxypyridin-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 181.09102 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]+	182.09830	137.1
[M+Na]+	204.08024	144.1
[M-H]-	180.08374	136.9
[M+NH4]+	199.12484	154.5
[M+K]+	220.05418	142.9
[M+H-H2O]+	164.08828	131.0
[M+HCOO]-	226.08922	156.2
[M+CH3COO]-	240.10487	177.1
[M+Na-2H]-	202.06569	141.4
[M]+	181.09047	137.2
[M]-	181.09157	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe