CID 44119543

486422-58-6

Structural Information

Molecular Formula

C₁₁H₁₆BNO₄S

SMILES

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

InChI

InChI=1S/C11H16BNO4S/c14-12(15)10-4-6-11(7-5-10)18(16,17)13-8-2-1-3-9-13/h4-7,14-15H,1-3,8-9H2

InChIKey

MIEADZYHESCCES-UHFFFAOYSA-N

Compound name

(4-piperidin-1-ylsulfonylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 269.0893 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]+	270.096576	156.9
[M+Na]+	292.078518	161.7
[M-H]-	268.082024	158.8
[M+NH4]+	287.123123	170.4
[M+K]+	308.052458	158.2
[M+H-H2O]+	252.086560	150.2
[M+HCOO]-	314.087501	167.0
[M+CH3COO]-	328.103151	187.1
[M+Na-2H]-	290.063966	159.0
[M]+	269.08875142	153.7
[M]-	269.08984858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe