CID 2306708

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

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

COCCCNC(=O)CC#N

InChI

InChI=1S/C7H12N2O2/c1-11-6-2-5-9-7(10)3-4-8/h2-3,5-6H2,1H3,(H,9,10)

InChIKey

QWNFSBIGAWBUTF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 134
Patents: 156.08987 Da
Monoisotopic Mass: -0.4
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]+	157.097146	131.8
[M+Na]+	179.079088	139.6
[M-H]-	155.082594	132.4
[M+NH4]+	174.123693	150.5
[M+K]+	195.053028	139.8
[M+H-H2O]+	139.087130	120.0
[M+HCOO]-	201.088071	152.5
[M+CH3COO]-	215.103721	191.9
[M+Na-2H]-	177.064536	137.3
[M]+	156.08932142	129.0
[M]-	156.09041858	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe