CID 352103

Pentylboronic acid

Structural Information

Molecular Formula

C₅H₁₃BO₂

SMILES

B(CCCCC)(O)O

InChI

InChI=1S/C5H13BO2/c1-2-3-4-5-6(7)8/h7-8H,2-5H2,1H3

InChIKey

ABWPXVJNCQKYDR-UHFFFAOYSA-N

Compound name

pentylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 427
Patents: 116.10086 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]+	117.10814	125.1
[M+Na]+	139.09008	131.4
[M-H]-	115.09358	122.6
[M+NH4]+	134.13468	146.5
[M+K]+	155.06402	130.8
[M+H-H2O]+	99.098120	121.1
[M+HCOO]-	161.09906	145.5
[M+CH3COO]-	175.11471	166.0
[M+Na-2H]-	137.07553	130.1
[M]+	116.10031	124.8
[M]-	116.10141	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe