CID 4192663

852227-95-3

Structural Information

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

237
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

No literature data available for this compound.

Patent stripe

patents stripe