CID 90020502

1527505-56-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

246.14273 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15001 148.9
[M+Na]+ 269.13195 159.2
[M-H]- 245.13545 158.1
[M+NH4]+ 264.17655 170.4
[M+K]+ 285.10589 159.2
[M+H-H2O]+ 229.13999 145.0
[M+HCOO]- 291.14093 170.1
[M+CH3COO]- 305.15658 194.4
[M+Na-2H]- 267.11740 154.4
[M]+ 246.14218 153.6
[M]- 246.14328 153.6
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

patents stripe