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

202
Patents

288.2009 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20818 166.4
[M+Na]+ 311.19012 173.0
[M-H]- 287.19362 174.3
[M+NH4]+ 306.23472 182.3
[M+K]+ 327.16406 172.4
[M+H-H2O]+ 271.19816 158.0
[M+HCOO]- 333.19910 180.9
[M+CH3COO]- 347.21475 177.5
[M+Na-2H]- 309.17557 169.0
[M]+ 288.20035 164.5
[M]- 288.20145 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