CID 24901767

850568-34-2

Structural Information

Molecular Formula

C₁₂H₁₆BNO₃

SMILES

B(C1=CC(=CC=C1)C(=O)N2CCCCC2)(O)O

InChI

InChI=1S/C12H16BNO3/c15-12(14-7-2-1-3-8-14)10-5-4-6-11(9-10)13(16)17/h4-6,9,16-17H,1-3,7-8H2

InChIKey

XFTARKGZGNWJJT-UHFFFAOYSA-N

Compound name

[3-(piperidine-1-carbonyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 233.12233 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]+	234.12961	151.9
[M+Na]+	256.11155	155.6
[M-H]-	232.11505	153.6
[M+NH4]+	251.15615	166.3
[M+K]+	272.08549	152.9
[M+H-H2O]+	216.11959	144.4
[M+HCOO]-	278.12053	166.9
[M+CH3COO]-	292.13618	184.6
[M+Na-2H]-	254.09700	153.8
[M]+	233.12178	145.8
[M]-	233.12288	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe