CID 56972862

1426245-63-7

Structural Information

Molecular Formula
C11H16BNO3
SMILES
B(C1=CC(=C(C=C1)N2CCOCC2)C)(O)O
InChI
InChI=1S/C11H16BNO3/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChIKey
SPIHCTVLDYDVCE-UHFFFAOYSA-N
Compound name
(3-methyl-4-morpholin-4-ylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

221.12233 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12961 149.3
[M+Na]+ 244.11155 161.0
[M+NH4]+ 239.15615 156.7
[M+K]+ 260.08549 156.3
[M-H]- 220.11505 152.8
[M+Na-2H]- 242.09700 154.6
[M]+ 221.12178 151.8
[M]- 221.12288 151.8
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