CID 45263

63917-12-4

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CCOCCC=C(C#N)C#N

InChI

InChI=1S/C8H10N2O/c1-2-11-5-3-4-8(6-9)7-10/h4H,2-3,5H2,1H3

InChIKey

JMFNOHLRDCIMAU-UHFFFAOYSA-N

Compound name

2-(3-ethoxypropylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 150.07932 Da
Monoisotopic Mass: 0.8
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]+	151.08660	142.7
[M+Na]+	173.06854	151.3
[M-H]-	149.07204	145.0
[M+NH4]+	168.11314	156.9
[M+K]+	189.04248	150.2
[M+H-H2O]+	133.07658	128.5
[M+HCOO]-	195.07752	155.2
[M+CH3COO]-	209.09317	211.4
[M+Na-2H]-	171.05399	145.3
[M]+	150.07877	136.2
[M]-	150.07987	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe