CID 5156670

Tert-butylboronic acid

Structural Information

Molecular Formula

C₄H₁₁BO₂

SMILES

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

InChI

InChI=1S/C4H11BO2/c1-4(2,3)5(6)7/h6-7H,1-3H3

InChIKey

FTPPXKVBGUSCNZ-UHFFFAOYSA-N

Compound name

tert-butylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 102.08521 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]+	103.09249	120.0
[M+Na]+	125.07443	127.2
[M-H]-	101.07793	118.1
[M+NH4]+	120.11903	142.2
[M+K]+	141.04837	127.3
[M+H-H2O]+	85.082470	117.0
[M+HCOO]-	147.08341	139.2
[M+CH3COO]-	161.09906	162.6
[M+Na-2H]-	123.05988	126.2
[M]+	102.08466	118.7
[M]-	102.08576	118.7

Literature stripe

literature stripe

Patent stripe

patents stripe