CID 130141116

1112210-94-2

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(C)C)C=O
InChI
InChI=1S/C16H23BO3/c1-11(2)13-7-12(10-18)8-14(9-13)17-19-15(3,4)16(5,6)20-17/h7-11H,1-6H3
InChIKey
AUMXIZNKENTJFJ-UHFFFAOYSA-N
Compound name
3-propan-2-yl-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

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18128 158.2
[M+Na]+ 297.16322 167.4
[M-H]- 273.16672 167.1
[M+NH4]+ 292.20782 178.5
[M+K]+ 313.13716 167.5
[M+H-H2O]+ 257.17126 154.2
[M+HCOO]- 319.17220 177.7
[M+CH3COO]- 333.18785 201.3
[M+Na-2H]- 295.14867 161.5
[M]+ 274.17345 163.0
[M]- 274.17455 163.0
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

No patent data available for this compound.