CID 2795361

568577-88-8

Structural Information

Molecular Formula
C16H24BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCOCC3
InChI
InChI=1S/C16H24BNO3/c1-15(2)16(3,4)21-17(20-15)13-5-7-14(8-6-13)18-9-11-19-12-10-18/h5-8H,9-12H2,1-4H3
InChIKey
UCPALIMHMYIZPZ-UHFFFAOYSA-N
Compound name
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

411
Patents

289.18494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19222 165.4
[M+Na]+ 312.17416 172.0
[M-H]- 288.17766 175.4
[M+NH4]+ 307.21876 181.3
[M+K]+ 328.14810 173.1
[M+H-H2O]+ 272.18220 158.5
[M+HCOO]- 334.18314 180.4
[M+CH3COO]- 348.19879 177.2
[M+Na-2H]- 310.15961 169.1
[M]+ 289.18439 165.2
[M]- 289.18549 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe