CID 45791104

{4-[1-(1-piperidinyl)ethyl]phenyl}boronic acid

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B(C1=CC=C(C=C1)C(C)N2CCCCC2)(O)O
InChI
InChI=1S/C13H20BNO2/c1-11(15-9-3-2-4-10-15)12-5-7-13(8-6-12)14(16)17/h5-8,11,16-17H,2-4,9-10H2,1H3
InChIKey
AAVZQQFWPJUBCQ-UHFFFAOYSA-N
Compound name
[4-(1-piperidin-1-ylethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.165976 154.4
[M+Na]+ 256.147918 157.4
[M-H]- 232.151424 155.9
[M+NH4]+ 251.192523 168.9
[M+K]+ 272.121858 154.4
[M+H-H2O]+ 216.155960 146.9
[M+HCOO]- 278.156901 168.7
[M+CH3COO]- 292.172551 186.9
[M+Na-2H]- 254.133366 155.7
[M]+ 233.15815142 148.0
[M]- 233.15924858 148.0
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