CID 63991336

3-(morpholin-2-yl)benzonitrile hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

C1COC(CN1)C2=CC=CC(=C2)C#N

InChI

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

InChIKey

TZCOXLOPBPHUEJ-UHFFFAOYSA-N

Compound name

3-morpholin-2-ylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 188.09496 Da
Monoisotopic Mass: 1.0
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	139.7
[M+Na]+	211.08418	147.8
[M-H]-	187.08768	142.5
[M+NH4]+	206.12878	153.9
[M+K]+	227.05812	143.7
[M+H-H2O]+	171.09222	125.7
[M+HCOO]-	233.09316	154.2
[M+CH3COO]-	247.10881	150.0
[M+Na-2H]-	209.06963	145.7
[M]+	188.09441	129.9
[M]-	188.09551	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe