CID 67445786

1415794-16-9

Structural Information

Molecular Formula
C17H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCNCC3
InChI
InChI=1S/C17H26BNO2/c1-16(2)17(3,4)21-18(20-16)15-7-5-13(6-8-15)14-9-11-19-12-10-14/h5-8,14,19H,9-12H2,1-4H3
InChIKey
ZNVSPUGMUVHHPW-UHFFFAOYSA-N
Compound name
4-[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

52
Patents

287.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.21294 167.4
[M+Na]+ 310.19488 173.2
[M-H]- 286.19838 175.3
[M+NH4]+ 305.23948 184.1
[M+K]+ 326.16882 171.6
[M+H-H2O]+ 270.20292 160.4
[M+HCOO]- 332.20386 181.4
[M+CH3COO]- 346.21951 178.2
[M+Na-2H]- 308.18033 169.5
[M]+ 287.20511 163.7
[M]- 287.20621 163.7
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