CID 122371230

2-(5-(tert-butyl)-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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]+ 275.21770 159.0
[M+Na]+ 297.19964 168.3
[M-H]- 273.20314 167.9
[M+NH4]+ 292.24424 179.7
[M+K]+ 313.17358 168.3
[M+H-H2O]+ 257.20768 155.5
[M+HCOO]- 319.20862 177.3
[M+CH3COO]- 333.22427 201.9
[M+Na-2H]- 295.18509 164.1
[M]+ 274.20987 163.5
[M]- 274.21097 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.