CID 15605871

329685-40-7

Structural Information

Molecular Formula
C15H23BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)CCCC2=CC=CC=C2
InChI
InChI=1S/C15H23BO2/c1-14(2)15(3,4)18-16(17-14)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3
InChIKey
HRZOKAQQKKQUME-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

19
Patents

246.17911 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18639 154.4
[M+Na]+ 269.16833 162.2
[M-H]- 245.17183 162.5
[M+NH4]+ 264.21293 175.3
[M+K]+ 285.14227 161.9
[M+H-H2O]+ 229.17637 149.5
[M+HCOO]- 291.17731 174.8
[M+CH3COO]- 305.19296 193.7
[M+Na-2H]- 267.15378 160.1
[M]+ 246.17856 157.7
[M]- 246.17966 157.7
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.