CID 16218322

[4-(piperidine-1-carbonyl)phenyl] boronic acid pinacol ester

Structural Information

Molecular Formula
C18H26BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCCCC3
InChI
InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-8-14(9-11-15)16(21)20-12-6-5-7-13-20/h8-11H,5-7,12-13H2,1-4H3
InChIKey
YOXMAOLZXRIELZ-UHFFFAOYSA-N
Compound name
piperidin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

315.20056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.20784 173.2
[M+Na]+ 338.18978 178.9
[M-H]- 314.19328 182.4
[M+NH4]+ 333.23438 189.3
[M+K]+ 354.16372 178.6
[M+H-H2O]+ 298.19782 166.0
[M+HCOO]- 360.19876 187.7
[M+CH3COO]- 374.21441 205.1
[M+Na-2H]- 336.17523 174.3
[M]+ 315.20001 171.7
[M]- 315.20111 171.7
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