CID 176452015

H52601

Structural Information

Molecular Formula
C17H22BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCC(=O)NC3=O
InChI
InChI=1S/C17H22BNO4/c1-16(2)17(3,4)23-18(22-16)12-7-5-11(6-8-12)13-9-10-14(20)19-15(13)21/h5-8,13H,9-10H2,1-4H3,(H,19,20,21)
InChIKey
LCWSNUATGLZPDW-UHFFFAOYSA-N
Compound name
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16418 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17146 169.8
[M+Na]+ 338.15340 177.8
[M-H]- 314.15690 178.5
[M+NH4]+ 333.19800 185.7
[M+K]+ 354.12734 176.3
[M+H-H2O]+ 298.16144 163.5
[M+HCOO]- 360.16238 184.5
[M+CH3COO]- 374.17803 203.6
[M+Na-2H]- 336.13885 171.3
[M]+ 315.16363 168.6
[M]- 315.16473 168.6
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

No patent data available for this compound.