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

91
Patents

287.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21294 166.5
[M+Na]+ 310.19488 172.7
[M-H]- 286.19838 175.7
[M+NH4]+ 305.23948 183.8
[M+K]+ 326.16882 171.9
[M+H-H2O]+ 270.20292 159.1
[M+HCOO]- 332.20386 181.9
[M+CH3COO]- 346.21951 177.9
[M+Na-2H]- 308.18033 168.9
[M]+ 287.20511 164.5
[M]- 287.20621 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