CID 124706747

En300-33239334

Structural Information

Molecular Formula

C₁₀H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C(=C)[C@H](C)O

InChI

InChI=1S/C10H19BO3/c1-7(8(2)12)11-13-9(3,4)10(5,6)14-11/h8,12H,1H2,2-6H3/t8-/m0/s1

InChIKey

DDOWEUHSLARCNM-QMMMGPOBSA-N

Compound name

(2S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-ol

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	140.4
[M+Na]+	221.131948	148.0
[M-H]-	197.135454	144.2
[M+NH4]+	216.176553	162.5
[M+K]+	237.105888	149.4
[M+H-H2O]+	181.139990	138.3
[M+HCOO]-	243.140931	157.6
[M+CH3COO]-	257.156581	183.8
[M+Na-2H]-	219.117396	144.4
[M]+	198.14218142	142.1
[M]-	198.14327858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.