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: 12
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	120.0
[M+Na]+	137.06853	128.5
[M-H]-	113.07204	120.9
[M+NH4]+	132.11314	140.3
[M+K]+	153.04247	128.8
[M+H-H2O]+	97.076575	108.7
[M+HCOO]-	159.07752	141.8
[M+CH3COO]-	173.09317	185.4
[M+Na-2H]-	135.05398	127.8
[M]+	114.07877	116.6
[M]-	114.07986	116.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe