CID 44119827

871333-01-6

Structural Information

Molecular Formula
C11H16BNO4S
SMILES
B(C1=C(C=CC(=C1)S(=O)(=O)N2CCCC2)C)(O)O
InChI
InChI=1S/C11H16BNO4S/c1-9-4-5-10(8-11(9)12(14)15)18(16,17)13-6-2-3-7-13/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKey
IWOBOEZYVVBMGG-UHFFFAOYSA-N
Compound name
(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

269.0893 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09658 158.7
[M+Na]+ 292.07852 167.4
[M+NH4]+ 287.12312 164.8
[M+K]+ 308.05246 164.1
[M-H]- 268.08202 158.5
[M+Na-2H]- 290.06397 162.0
[M]+ 269.08875 160.0
[M]- 269.08985 160.0
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