CID 57416199

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

Structural Information

Molecular Formula

C₁₀H₁₉BO₃

SMILES

B1(OC(C(O1)(C)C)(C)C)/C=C/CCO

InChI

InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)7-5-6-8-12/h5,7,12H,6,8H2,1-4H3/b7-5+

InChIKey

FNGNFKQDRKKGQG-FNORWQNLSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
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]+	199.15001	140.0
[M+Na]+	221.13195	148.2
[M-H]-	197.13545	143.8
[M+NH4]+	216.17655	162.4
[M+K]+	237.10589	148.7
[M+H-H2O]+	181.13999	137.6
[M+HCOO]-	243.14093	159.3
[M+CH3COO]-	257.15658	181.3
[M+Na-2H]-	219.11740	146.5
[M]+	198.14218	143.0
[M]-	198.14328	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe