CID 45496592

{4-[2-(piperidin-1-yl)ethyl]phenyl}boronic acid hydrochloride

Structural Information

Molecular Formula
C13H20BNO2
SMILES
B(C1=CC=C(C=C1)CCN2CCCCC2)(O)O
InChI
InChI=1S/C13H20BNO2/c16-14(17)13-6-4-12(5-7-13)8-11-15-9-2-1-3-10-15/h4-7,16-17H,1-3,8-11H2
InChIKey
NTYIKWNTASYFPS-UHFFFAOYSA-N
Compound name
[4-(2-piperidin-1-ylethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

233.1587 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.16598 154.4
[M+Na]+ 256.14792 157.7
[M-H]- 232.15142 155.8
[M+NH4]+ 251.19252 169.0
[M+K]+ 272.12186 154.1
[M+H-H2O]+ 216.15596 146.7
[M+HCOO]- 278.15690 169.7
[M+CH3COO]- 292.17255 186.0
[M+Na-2H]- 254.13337 156.9
[M]+ 233.15815 148.6
[M]- 233.15925 148.6
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