CID 127263689

1392146-21-2

Structural Information

Molecular Formula
C14H19BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C=O)C
InChI
InChI=1S/C14H19BO3/c1-10-6-11(9-16)8-12(7-10)15-17-13(2,3)14(4,5)18-15/h6-9H,1-5H3
InChIKey
CGHQBKWBUKSEBB-UHFFFAOYSA-N
Compound name
3-methyl-5-(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

246.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15001 151.7
[M+Na]+ 269.13195 164.7
[M+NH4]+ 264.17655 162.5
[M+K]+ 285.10589 157.4
[M-H]- 245.13545 157.5
[M+Na-2H]- 267.11740 159.7
[M]+ 246.14218 155.6
[M]- 246.14328 155.6
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.