CID 165996009

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2CC(C2)O

InChI

InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)7-5-8(12)6-7/h7-8,12H,5-6H2,1-4H3

InChIKey

PCIQIWFOGFPZIA-UHFFFAOYSA-N

Compound name

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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	135.6
[M+Na]+	221.131948	142.2
[M-H]-	197.135454	142.8
[M+NH4]+	216.176553	151.5
[M+K]+	237.105888	145.9
[M+H-H2O]+	181.139990	129.1
[M+HCOO]-	243.140931	153.0
[M+CH3COO]-	257.156581	185.5
[M+Na-2H]-	219.117396	140.9
[M]+	198.14218142	145.4
[M]-	198.14327858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe