CID 2795502

4-((morpholino)methyl)phenylboronic acid pinacol ester

Structural Information

Molecular Formula
C17H26BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN3CCOCC3
InChI
InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-7-5-14(6-8-15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3
InChIKey
JOIXYIWXEYXHHG-UHFFFAOYSA-N
Compound name
4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

645
Patents

303.20056 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20784 169.9
[M+Na]+ 326.18978 176.1
[M-H]- 302.19328 179.7
[M+NH4]+ 321.23438 185.2
[M+K]+ 342.16372 177.0
[M+H-H2O]+ 286.19782 162.8
[M+HCOO]- 348.19876 184.5
[M+CH3COO]- 362.21441 181.2
[M+Na-2H]- 324.17523 173.1
[M]+ 303.20001 170.0
[M]- 303.20111 170.0
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