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: 6
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]+	157.097146	131.9
[M+Na]+	179.079088	139.8
[M-H]-	155.082594	133.8
[M+NH4]+	174.123693	151.1
[M+K]+	195.053028	141.1
[M+H-H2O]+	139.087130	119.9
[M+HCOO]-	201.088071	153.0
[M+CH3COO]-	215.103721	195.1
[M+Na-2H]-	177.064536	136.6
[M]+	156.08932142	130.1
[M]-	156.09041858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe