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

20
Patents

205.12741 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.134686 145.4
[M+Na]+ 228.116628 149.6
[M-H]- 204.120134 147.2
[M+NH4]+ 223.161233 161.2
[M+K]+ 244.090568 146.5
[M+H-H2O]+ 188.124670 138.1
[M+HCOO]- 250.125611 161.4
[M+CH3COO]- 264.141261 180.0
[M+Na-2H]- 226.102076 149.0
[M]+ 205.12686142 138.9
[M]- 205.12795858 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