CID 86718588

1609654-75-2

Structural Information

Molecular Formula
C12H19BO4
SMILES
B(C1=C(C=CC(=C1)C(C)(C)C)OCOC)(O)O
InChI
InChI=1S/C12H19BO4/c1-12(2,3)9-5-6-11(17-8-16-4)10(7-9)13(14)15/h5-7,14-15H,8H2,1-4H3
InChIKey
HEXMPMSEQFIMQK-UHFFFAOYSA-N
Compound name
[5-tert-butyl-2-(methoxymethoxy)phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.13763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.14491 153.3
[M+Na]+ 261.12685 160.1
[M-H]- 237.13035 154.5
[M+NH4]+ 256.17145 170.2
[M+K]+ 277.10079 158.8
[M+H-H2O]+ 221.13489 148.0
[M+HCOO]- 283.13583 171.9
[M+CH3COO]- 297.15148 188.7
[M+Na-2H]- 259.11230 156.9
[M]+ 238.13708 156.3
[M]- 238.13818 156.3
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