CID 133683451

2-[4-(cyclobutylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C17H25BO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC3CCC3
InChI
InChI=1S/C17H25BO2/c1-16(2)17(3,4)20-18(19-16)15-10-8-14(9-11-15)12-13-6-5-7-13/h8-11,13H,5-7,12H2,1-4H3
InChIKey
JMRZQTIYOPWPJU-UHFFFAOYSA-N
Compound name
2-[4-(cyclobutylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.19476 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20204 156.3
[M+Na]+ 295.18398 162.4
[M-H]- 271.18748 167.3
[M+NH4]+ 290.22858 169.8
[M+K]+ 311.15792 164.5
[M+H-H2O]+ 255.19202 147.2
[M+HCOO]- 317.19296 174.4
[M+CH3COO]- 331.20861 201.9
[M+Na-2H]- 293.16943 160.0
[M]+ 272.19421 166.4
[M]- 272.19531 166.4
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.