CID 44119822

874219-18-8

Structural Information

Molecular Formula
C12H18BNO5S
SMILES
B(C1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCCC2)(O)O
InChI
InChI=1S/C12H18BNO5S/c1-19-11-6-5-10(13(15)16)9-12(11)20(17,18)14-7-3-2-4-8-14/h5-6,9,15-16H,2-4,7-8H2,1H3
InChIKey
DRXNMNKYEDFECK-UHFFFAOYSA-N
Compound name
(4-methoxy-3-piperidin-1-ylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.09988 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10716 163.8
[M+Na]+ 322.08910 168.7
[M-H]- 298.09260 165.8
[M+NH4]+ 317.13370 176.3
[M+K]+ 338.06304 165.7
[M+H-H2O]+ 282.09714 156.9
[M+HCOO]- 344.09808 173.7
[M+CH3COO]- 358.11373 193.5
[M+Na-2H]- 320.07455 165.0
[M]+ 299.09933 162.8
[M]- 299.10043 162.8
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