CID 4961250

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

Structural Information

Molecular Formula
C17H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCCCC3
InChI
InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)14-8-10-15(11-9-14)19-12-6-5-7-13-19/h8-11H,5-7,12-13H2,1-4H3
InChIKey
OTOKWHGMHAAFRM-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

287.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.212936 166.5
[M+Na]+ 310.194878 172.7
[M-H]- 286.198384 175.7
[M+NH4]+ 305.239483 183.8
[M+K]+ 326.168818 171.9
[M+H-H2O]+ 270.202920 159.1
[M+HCOO]- 332.203861 181.9
[M+CH3COO]- 346.219511 177.9
[M+Na-2H]- 308.180326 168.9
[M]+ 287.20511142 164.5
[M]- 287.20620858 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