CID 24901767

3-(piperidine-1-carbonyl)phenylboronic acid

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

61
Patents

233.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12961 152.9
[M+Na]+ 256.11155 163.3
[M+NH4]+ 251.15615 159.8
[M+K]+ 272.08549 158.7
[M-H]- 232.11505 154.5
[M+Na-2H]- 254.09700 158.2
[M]+ 233.12178 154.5
[M]- 233.12288 154.5
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