CID 155973644

2-hydroxy-3-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

Structural Information

Molecular Formula
C14H19BO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)OC)O)C=O
InChI
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-6-7-11(18-5)12(17)9(10)8-16/h6-8,17H,1-5H3
InChIKey
MYOVLKFLZAGTDY-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxy-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

278.13257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13985 157.7
[M+Na]+ 301.12179 169.5
[M+NH4]+ 296.16639 167.0
[M+K]+ 317.09573 163.8
[M-H]- 277.12529 162.0
[M+Na-2H]- 299.10724 164.1
[M]+ 278.13202 160.9
[M]- 278.13312 160.9
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.