CID 21872496

2-[(2-methoxyethyl)amino]acetonitrile

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

COCCNCC#N

InChI

InChI=1S/C5H10N2O/c1-8-5-4-7-3-2-6/h7H,3-5H2,1H3

InChIKey

CRHLBNPXQYHPPW-UHFFFAOYSA-N

Compound name

2-(2-methoxyethylamino)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 114.079315 Da
Monoisotopic Mass: -0.6
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]+	115.08659	124.4
[M+Na]+	137.06853	133.7
[M+NH4]+	132.11314	128.9
[M+K]+	153.04247	125.4
[M-H]-	113.07204	117.5
[M+Na-2H]-	135.05398	126.5
[M]+	114.07877	122.7
[M]-	114.07986	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe