CID 72219534

2379560-89-9

Structural Information

Molecular Formula
C13H17BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)O)C=O
InChI
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(16)9(10)8-15/h5-8,16H,1-4H3
InChIKey
UKWVSMKUNWTVIN-UHFFFAOYSA-N
Compound name
2-hydroxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.122 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12928 150.9
[M+Na]+ 271.11122 163.1
[M+NH4]+ 266.15582 161.0
[M+K]+ 287.08516 156.8
[M-H]- 247.11472 155.8
[M+Na-2H]- 269.09667 158.2
[M]+ 248.12145 154.4
[M]- 248.12255 154.4
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

No patent data available for this compound.