CID 44119824

874219-17-7

Structural Information

Molecular Formula
C11H14BNO4
SMILES
B(C1=CC=CC=C1C(=O)N2CCOCC2)(O)O
InChI
InChI=1S/C11H14BNO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-4,15-16H,5-8H2
InChIKey
DUXSLRIREWOQJJ-UHFFFAOYSA-N
Compound name
[2-(morpholine-4-carbonyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

235.1016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10888 150.6
[M+Na]+ 258.09082 154.8
[M-H]- 234.09432 153.2
[M+NH4]+ 253.13542 163.6
[M+K]+ 274.06476 153.8
[M+H-H2O]+ 218.09886 143.0
[M+HCOO]- 280.09980 165.3
[M+CH3COO]- 294.11545 183.9
[M+Na-2H]- 256.07627 153.8
[M]+ 235.10105 146.2
[M]- 235.10215 146.2
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