CID 75487196

1417036-29-3

Structural Information

Molecular Formula
C15H21BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)C)C
InChI
InChI=1S/C15H21BO3/c1-10-9-12(7-8-13(10)11(2)17)16-18-14(3,4)15(5,6)19-16/h7-9H,1-6H3
InChIKey
WODKMNDPLZUKBH-UHFFFAOYSA-N
Compound name
1-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

260.1584 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.16568 153.5
[M+Na]+ 283.14762 163.1
[M-H]- 259.15112 162.6
[M+NH4]+ 278.19222 174.4
[M+K]+ 299.12156 163.4
[M+H-H2O]+ 243.15566 149.7
[M+HCOO]- 305.15660 173.4
[M+CH3COO]- 319.17225 198.3
[M+Na-2H]- 281.13307 157.4
[M]+ 260.15785 158.0
[M]- 260.15895 158.0
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