CID 122371230

1799485-26-9

Structural Information

Molecular Formula
C17H27BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(C)(C)C)C
InChI
InChI=1S/C17H27BO2/c1-12-9-10-13(15(2,3)4)11-14(12)18-19-16(5,6)17(7,8)20-18/h9-11H,1-8H3
InChIKey
OTLBHRXDAXBSOB-UHFFFAOYSA-N
Compound name
2-(5-tert-butyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.21042 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.217696 159.0
[M+Na]+ 297.199638 168.3
[M-H]- 273.203144 167.9
[M+NH4]+ 292.244243 179.7
[M+K]+ 313.173578 168.3
[M+H-H2O]+ 257.207680 155.5
[M+HCOO]- 319.208621 177.3
[M+CH3COO]- 333.224271 201.9
[M+Na-2H]- 295.185086 164.1
[M]+ 274.20987142 163.5
[M]- 274.21096858 163.5
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.