CID 107134

2-(morpholin-4-yl)propanenitrile

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CC(C#N)N1CCOCC1

InChI

InChI=1S/C7H12N2O/c1-7(6-8)9-2-4-10-5-3-9/h7H,2-5H2,1H3

InChIKey

YRJOBFAKVQTZCE-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 830
Patents: 140.09496 Da
Monoisotopic Mass: 0.1
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]+	141.102236	125.3
[M+Na]+	163.084178	132.5
[M-H]-	139.087684	126.9
[M+NH4]+	158.128783	142.0
[M+K]+	179.058118	132.4
[M+H-H2O]+	123.092220	112.3
[M+HCOO]-	185.093161	140.2
[M+CH3COO]-	199.108811	186.1
[M+Na-2H]-	161.069626	131.5
[M]+	140.09441142	117.4
[M]-	140.09550858	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe