CID 78298

4542-47-6

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1COCCN1CCC#N

InChI

InChI=1S/C7H12N2O/c8-2-1-3-9-4-6-10-7-5-9/h1,3-7H2

InChIKey

WXVKGHVDWWXBJX-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 818
Patents: 140.09496 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]+	141.10224	123.8
[M+Na]+	163.08418	131.2
[M-H]-	139.08768	125.4
[M+NH4]+	158.12878	140.6
[M+K]+	179.05812	130.8
[M+H-H2O]+	123.09222	110.7
[M+HCOO]-	185.09316	139.7
[M+CH3COO]-	199.10881	185.4
[M+Na-2H]-	161.06963	131.2
[M]+	140.09441	116.6
[M]-	140.09551	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe