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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.186386	154.4
[M+Na]+	269.168328	162.2
[M-H]-	245.171834	162.5
[M+NH4]+	264.212933	175.3
[M+K]+	285.142268	161.9
[M+H-H2O]+	229.176370	149.5
[M+HCOO]-	291.177311	174.8
[M+CH3COO]-	305.192961	193.7
[M+Na-2H]-	267.153776	160.1
[M]+	246.17856142	157.7
[M]-	246.17965858	157.7

Literature stripe

literature stripe

Patent stripe

patents stripe