CID 19964397

2-(2-phenylethyl)morpholine

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

C1COC(CN1)CCC2=CC=CC=C2

InChI

InChI=1S/C12H17NO/c1-2-4-11(5-3-1)6-7-12-10-13-8-9-14-12/h1-5,12-13H,6-10H2

InChIKey

TXIWKJLQPACJEW-UHFFFAOYSA-N

Compound name

2-(2-phenylethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 191.13101 Da
Monoisotopic Mass: 1.8
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]+	192.13829	144.7
[M+Na]+	214.12023	157.6
[M+NH4]+	209.16483	153.7
[M+K]+	230.09417	150.1
[M-H]-	190.12373	149.8
[M+Na-2H]-	212.10568	152.3
[M]+	191.13046	148.0
[M]-	191.13156	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe