CID 85812

Morpholino(phenyl)acetonitrile

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

C1COCCN1C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2O/c13-10-12(11-4-2-1-3-5-11)14-6-8-15-9-7-14/h1-5,12H,6-9H2

InChIKey

MWZPYQLYZXTCLZ-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-2-phenylacetonitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 45
Patents: 202.11061 Da
Monoisotopic Mass: 1.4
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]+	203.117886	143.4
[M+Na]+	225.099828	150.3
[M-H]-	201.103334	146.8
[M+NH4]+	220.144433	157.3
[M+K]+	241.073768	147.1
[M+H-H2O]+	185.107870	128.7
[M+HCOO]-	247.108811	158.0
[M+CH3COO]-	261.124461	153.5
[M+Na-2H]-	223.085276	148.9
[M]+	202.11006142	134.6
[M]-	202.11115858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe