CID 137951387

2246738-88-3

Structural Information

Molecular Formula
C19H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OCCN3CCOCC3)C
InChI
InChI=1S/C19H30BNO4/c1-15-14-16(20-24-18(2,3)19(4,5)25-20)6-7-17(15)23-13-10-21-8-11-22-12-9-21/h6-7,14H,8-13H2,1-5H3
InChIKey
MVQQWAKSXLAIIF-UHFFFAOYSA-N
Compound name
4-[2-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.23406 181.1
[M+Na]+ 370.21600 192.8
[M+NH4]+ 365.26060 190.8
[M+K]+ 386.18994 185.6
[M-H]- 346.21950 189.2
[M+Na-2H]- 368.20145 187.6
[M]+ 347.22623 185.4
[M]- 347.22733 185.4
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.