CID 87745

18664-94-3

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₂

SMILES

C(CCOCCC#N)COCCC#N

InChI

InChI=1S/C10H16N2O2/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h1-4,7-10H2

InChIKey

RCRNVWKZQROUJM-UHFFFAOYSA-N

Compound name

3-[4-(2-cyanoethoxy)butoxy]propanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 340
Patents: 196.12119 Da
Monoisotopic Mass: 0.0
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]+	197.12847	166.7
[M+Na]+	219.11041	173.5
[M+NH4]+	214.15501	166.7
[M+K]+	235.08435	163.3
[M-H]-	195.11391	155.2
[M+Na-2H]-	217.09586	164.3
[M]+	196.12064	163.1
[M]-	196.12174	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe