CID 98746

3-(2,6-dimethylmorpholin-4-yl)propanenitrile

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

CC1CN(CC(O1)C)CCC#N

InChI

InChI=1S/C9H16N2O/c1-8-6-11(5-3-4-10)7-9(2)12-8/h8-9H,3,5-7H2,1-2H3

InChIKey

BEJUPEKPJOPODY-UHFFFAOYSA-N

Compound name

3-(2,6-dimethylmorpholin-4-yl)propanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 168.12627 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]+	169.13355	139.2
[M+Na]+	191.11549	150.0
[M+NH4]+	186.16009	143.8
[M+K]+	207.08943	141.3
[M-H]-	167.11899	134.4
[M+Na-2H]-	189.10094	140.8
[M]+	168.12572	138.5
[M]-	168.12682	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe