CID 63705126

(2-methylbutyl)boronic acid

Structural Information

Molecular Formula

C₅H₁₃BO₂

SMILES

B(CC(C)CC)(O)O

InChI

InChI=1S/C5H13BO2/c1-3-5(2)4-6(7)8/h5,7-8H,3-4H2,1-2H3

InChIKey

NGHJHHWXNRSHSI-UHFFFAOYSA-N

Compound name

2-methylbutylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	125.4
[M+Na]+	139.09008	131.5
[M-H]-	115.09358	123.0
[M+NH4]+	134.13468	146.8
[M+K]+	155.06402	131.3
[M+H-H2O]+	99.098120	121.5
[M+HCOO]-	161.09906	144.8
[M+CH3COO]-	175.11471	166.9
[M+Na-2H]-	137.07553	129.1
[M]+	116.10031	124.4
[M]-	116.10141	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe