CID 11183176

238088-16-9

Structural Information

Molecular Formula

C₁₀H₁₈BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)CCCC#N

InChI

InChI=1S/C10H18BNO2/c1-9(2)10(3,4)14-11(13-9)7-5-6-8-12/h5-7H2,1-4H3

InChIKey

LVMSRWXPZLRTIC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 195.14307 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]+	196.15035	136.3
[M+Na]+	218.13229	146.3
[M+NH4]+	213.17689	143.2
[M+K]+	234.10623	137.2
[M-H]-	194.13579	132.2
[M+Na-2H]-	216.11774	139.8
[M]+	195.14252	136.0
[M]-	195.14362	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe