CID 5708385

57404-76-9

Structural Information

Molecular Formula

C₇H₁₅BO₂

SMILES

B(/C=C/CCCCC)(O)O

InChI

InChI=1S/C7H15BO2/c1-2-3-4-5-6-7-8(9)10/h6-7,9-10H,2-5H2,1H3/b7-6+

InChIKey

LDTJUGVTOZBIBN-VOTSOKGWSA-N

Compound name

[(E)-hept-1-enyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 142.11652 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]+	143.12380	133.0
[M+Na]+	165.10574	138.8
[M-H]-	141.10924	130.3
[M+NH4]+	160.15034	153.4
[M+K]+	181.07968	137.1
[M+H-H2O]+	125.11378	128.7
[M+HCOO]-	187.11472	153.0
[M+CH3COO]-	201.13037	170.5
[M+Na-2H]-	163.09119	136.9
[M]+	142.11597	132.7
[M]-	142.11707	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe