CID 16414210

1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine

Structural Information

Molecular Formula
C16H25BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCCCC3
InChI
InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-8-9-14(18-12-13)19-10-6-5-7-11-19/h8-9,12H,5-7,10-11H2,1-4H3
InChIKey
MLJZIQHWAUYAPA-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

288.2009 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.208176 166.4
[M+Na]+ 311.190118 173.0
[M-H]- 287.193624 174.3
[M+NH4]+ 306.234723 182.3
[M+K]+ 327.164058 172.4
[M+H-H2O]+ 271.198160 158.0
[M+HCOO]- 333.199101 180.9
[M+CH3COO]- 347.214751 177.5
[M+Na-2H]- 309.175566 169.0
[M]+ 288.20035142 164.5
[M]- 288.20144858 164.5
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