CID 394808

4-morpholinobenzonitrile

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1COCCN1C2=CC=C(C=C2)C#N

InChI

InChI=1S/C11H12N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-8H2

InChIKey

ZSCUWVQXQDCSRV-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 251
Patents: 188.09496 Da
Monoisotopic Mass: 1.1
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]+	189.10224	138.2
[M+Na]+	211.08418	146.6
[M-H]-	187.08768	142.1
[M+NH4]+	206.12878	153.0
[M+K]+	227.05812	143.4
[M+H-H2O]+	171.09222	123.9
[M+HCOO]-	233.09316	154.0
[M+CH3COO]-	247.10881	149.2
[M+Na-2H]-	209.06963	144.7
[M]+	188.09441	130.0
[M]-	188.09551	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe