CID 46739716

3-((tetrahydrofuran-2-yl)methylcarbamoyl)phenylboronic acid

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 155.2
[M+Na]+ 272.10645 158.8
[M-H]- 248.10995 159.3
[M+NH4]+ 267.15105 170.5
[M+K]+ 288.08039 157.6
[M+H-H2O]+ 232.11449 148.6
[M+HCOO]- 294.11543 174.0
[M+CH3COO]- 308.13108 188.8
[M+Na-2H]- 270.09190 156.9
[M]+ 249.11668 152.0
[M]- 249.11778 152.0
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