CID 43327888

1311166-07-0

Structural Information

Molecular Formula
C13H20BNO3
SMILES
B(C1=CC(=CC=C1)OCCN2CCCCC2)(O)O
InChI
InChI=1S/C13H20BNO3/c16-14(17)12-5-4-6-13(11-12)18-10-9-15-7-2-1-3-8-15/h4-6,11,16-17H,1-3,7-10H2
InChIKey
RVGXCTOOQRWXTB-UHFFFAOYSA-N
Compound name
[3-(2-piperidin-1-ylethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.16091 157.2
[M+Na]+ 272.14285 160.3
[M-H]- 248.14635 158.5
[M+NH4]+ 267.18745 171.0
[M+K]+ 288.11679 157.4
[M+H-H2O]+ 232.15089 149.2
[M+HCOO]- 294.15183 172.7
[M+CH3COO]- 308.16748 188.1
[M+Na-2H]- 270.12830 159.7
[M]+ 249.15308 152.8
[M]- 249.15418 152.8
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