CID 19098096

(3-methoxypropyl)boronic acid

Structural Information

Molecular Formula

C₄H₁₁BO₃

SMILES

B(CCCOC)(O)O

InChI

InChI=1S/C4H11BO3/c1-8-4-2-3-5(6)7/h6-7H,2-4H2,1H3

InChIKey

DQCJYSDRWIJCFW-UHFFFAOYSA-N

Compound name

3-methoxypropylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 118.080124 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]+	119.08740	123.2
[M+Na]+	141.06934	129.8
[M-H]-	117.07285	120.9
[M+NH4]+	136.11395	144.5
[M+K]+	157.04328	130.0
[M+H-H2O]+	101.07738	119.1
[M+HCOO]-	163.07832	144.2
[M+CH3COO]-	177.09398	165.0
[M+Na-2H]-	139.05479	128.7
[M]+	118.07958	124.0
[M]-	118.08067	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe