CID 20227811

2413877-66-2

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CN(C)CCOC(=O)CC#N

InChI

InChI=1S/C7H12N2O2/c1-9(2)5-6-11-7(10)3-4-8/h3,5-6H2,1-2H3

InChIKey

URQYRQBJRMLNGH-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl 2-cyanoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 156.08987 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]+	157.09715	134.8
[M+Na]+	179.07909	143.3
[M+NH4]+	174.12369	138.4
[M+K]+	195.05303	136.0
[M-H]-	155.08259	127.2
[M+Na-2H]-	177.06454	135.8
[M]+	156.08932	132.7
[M]-	156.09042	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe