CID 11344616

100818-32-4

Structural Information

Molecular Formula

C₁₀H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)CCC(=O)C

InChI

InChI=1S/C10H19BO3/c1-8(12)6-7-11-13-9(2,3)10(4,5)14-11/h6-7H2,1-5H3

InChIKey

LKTYRLPRDAUIDH-UHFFFAOYSA-N

Compound name

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.14273 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]+	199.150006	138.8
[M+Na]+	221.131948	147.0
[M-H]-	197.135454	144.0
[M+NH4]+	216.176553	161.7
[M+K]+	237.105888	149.0
[M+H-H2O]+	181.139990	136.3
[M+HCOO]-	243.140931	158.6
[M+CH3COO]-	257.156581	185.4
[M+Na-2H]-	219.117396	144.6
[M]+	198.14218142	143.0
[M]-	198.14327858	143.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.