CID 2377097

2-cyano-n-(3-ethoxypropyl)acetamide

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

CCOCCCNC(=O)CC#N

InChI

InChI=1S/C8H14N2O2/c1-2-12-7-3-6-10-8(11)4-5-9/h2-4,6-7H2,1H3,(H,10,11)

InChIKey

CYXWZTKRUQZGBI-UHFFFAOYSA-N

Compound name

2-cyano-N-(3-ethoxypropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 170.10553 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]+	171.11281	135.8
[M+Na]+	193.09475	143.2
[M-H]-	169.09825	136.2
[M+NH4]+	188.13935	153.9
[M+K]+	209.06869	143.1
[M+H-H2O]+	153.10279	123.8
[M+HCOO]-	215.10373	156.2
[M+CH3COO]-	229.11938	194.7
[M+Na-2H]-	191.08020	140.8
[M]+	170.10498	133.2
[M]-	170.10608	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe