CID 3057360

4-(o-chloro-alpha-methylbenzyl)morpholine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

CC(C1=CC=CC=C1Cl)N2CCOCC2

InChI

InChI=1S/C12H16ClNO/c1-10(14-6-8-15-9-7-14)11-4-2-3-5-12(11)13/h2-5,10H,6-9H2,1H3

InChIKey

ZOLWZYIMYQTEKB-UHFFFAOYSA-N

Compound name

4-[1-(2-chlorophenyl)ethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 225.09204 Da
Monoisotopic Mass: 2.4
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]+	226.09932	149.8
[M+Na]+	248.08126	155.7
[M-H]-	224.08476	154.7
[M+NH4]+	243.12586	165.8
[M+K]+	264.05520	152.9
[M+H-H2O]+	208.08930	142.5
[M+HCOO]-	270.09024	162.8
[M+CH3COO]-	284.10589	187.4
[M+Na-2H]-	246.06671	154.3
[M]+	225.09149	148.2
[M]-	225.09259	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe