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

81
Patents

269.0893 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09658 156.7
[M+Na]+ 292.07852 166.2
[M+NH4]+ 287.12312 163.1
[M+K]+ 308.05246 160.8
[M-H]- 268.08202 157.3
[M+Na-2H]- 290.06397 161.5
[M]+ 269.08875 158.4
[M]- 269.08985 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe