CID 46739716

1218790-83-0

Structural Information

Molecular Formula
C12H16BNO4
SMILES
B(C1=CC(=CC=C1)C(=O)NCC2CCCO2)(O)O
InChI
InChI=1S/C12H16BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1,3-4,7,11,16-17H,2,5-6,8H2,(H,14,15)
InChIKey
OBHSWJBFUUNHJE-UHFFFAOYSA-N
Compound name
[3-(oxolan-2-ylmethylcarbamoyl)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

249.11723 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12451 156.6
[M+Na]+ 272.10645 164.6
[M+NH4]+ 267.15105 162.8
[M+K]+ 288.08039 163.1
[M-H]- 248.10995 159.2
[M+Na-2H]- 270.09190 160.0
[M]+ 249.11668 158.0
[M]- 249.11778 158.0
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