CID 4192666

1050505-85-5

Structural Information

Molecular Formula
C11H16BNO2
SMILES
B(C1=CC=CC=C1N2CCCCC2)(O)O
InChI
InChI=1S/C11H16BNO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,14-15H,1,4-5,8-9H2
InChIKey
NPZUBLWFOBRQAV-UHFFFAOYSA-N
Compound name
(2-piperidin-1-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

205.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.13469 145.4
[M+Na]+ 228.11663 149.6
[M-H]- 204.12013 147.2
[M+NH4]+ 223.16123 161.2
[M+K]+ 244.09057 146.5
[M+H-H2O]+ 188.12467 138.1
[M+HCOO]- 250.12561 161.4
[M+CH3COO]- 264.14126 180.0
[M+Na-2H]- 226.10208 149.0
[M]+ 205.12686 138.9
[M]- 205.12796 138.9
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