CID 132597985

1809027-00-6

Structural Information

Molecular Formula

C₁₃H₂₅BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)/C=C/CC(C)(C)C

InChI

InChI=1S/C13H25BO2/c1-11(2,3)9-8-10-14-15-12(4,5)13(6,7)16-14/h8,10H,9H2,1-7H3/b10-8+

InChIKey

LEEWEPVDGUQULP-CSKARUKUSA-N

Compound name

2-[(E)-4,4-dimethylpent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.19476 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]+	225.202036	147.8
[M+Na]+	247.183978	155.7
[M-H]-	223.187484	152.8
[M+NH4]+	242.228583	170.2
[M+K]+	263.157918	156.5
[M+H-H2O]+	207.192020	145.8
[M+HCOO]-	269.192961	166.0
[M+CH3COO]-	283.208611	190.6
[M+Na-2H]-	245.169426	154.3
[M]+	224.19421142	151.7
[M]-	224.19530858	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.