CID 200844

2832-95-3

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CC(CCC1=CC=CC=C1)N2CCOCC2

InChI

InChI=1S/C14H21NO/c1-13(15-9-11-16-12-10-15)7-8-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3

InChIKey

DSNGTKFWFLUXMW-UHFFFAOYSA-N

Compound name

4-(4-phenylbutan-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.16231 Da
Monoisotopic Mass: 2.6
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]+	220.169586	152.7
[M+Na]+	242.151528	156.0
[M-H]-	218.155034	157.1
[M+NH4]+	237.196133	167.7
[M+K]+	258.125468	154.6
[M+H-H2O]+	202.159570	144.2
[M+HCOO]-	264.160511	169.7
[M+CH3COO]-	278.176161	188.5
[M+Na-2H]-	240.136976	157.3
[M]+	219.16176142	149.3
[M]-	219.16285858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe