CID 5017652

4-(tetrahydro-2h-pyran-2-yloxy)phenylboronic acid (contains varying amounts of anhydride)

Structural Information

Molecular Formula
C11H15BO4
SMILES
B(C1=CC=C(C=C1)OC2CCCCO2)(O)O
InChI
InChI=1S/C11H15BO4/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h4-7,11,13-14H,1-3,8H2
InChIKey
DMGMCZRNMYQQQB-UHFFFAOYSA-N
Compound name
[4-(oxan-2-yloxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

222.10634 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11362 146.9
[M+Na]+ 245.09556 151.0
[M-H]- 221.09906 150.8
[M+NH4]+ 240.14016 161.9
[M+K]+ 261.06950 150.2
[M+H-H2O]+ 205.10360 140.1
[M+HCOO]- 267.10454 163.7
[M+CH3COO]- 281.12019 181.7
[M+Na-2H]- 243.08101 151.4
[M]+ 222.10579 143.4
[M]- 222.10689 143.4
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