CID 4198001

878289-33-9

Structural Information

Molecular Formula
C12H18BNO2
SMILES
B(C1=CC=CC=C1CN2CCCCC2)(O)O
InChI
InChI=1S/C12H18BNO2/c15-13(16)12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7,15-16H,1,4-5,8-10H2
InChIKey
XLKFVMDAESHIHV-UHFFFAOYSA-N
Compound name
[2-(piperidin-1-ylmethyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15035 151.0
[M+Na]+ 242.13229 162.2
[M+NH4]+ 237.17689 158.8
[M+K]+ 258.10623 156.2
[M-H]- 218.13579 153.5
[M+Na-2H]- 240.11774 157.1
[M]+ 219.14252 153.1
[M]- 219.14362 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe