CID 13774070

4-benzyl-3-chloromethyl-morpholine

Structural Information

Molecular Formula

C₁₂H₁₆ClNO

SMILES

C1COCC(N1CC2=CC=CC=C2)CCl

InChI

InChI=1S/C12H16ClNO/c13-8-12-10-15-7-6-14(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2

InChIKey

MSRCVCNYPADFER-UHFFFAOYSA-N

Compound name

4-benzyl-3-(chloromethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 225.09204 Da
Monoisotopic Mass: 2.0
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]+	226.099316	149.9
[M+Na]+	248.081258	156.0
[M-H]-	224.084764	154.6
[M+NH4]+	243.125863	165.9
[M+K]+	264.055198	152.8
[M+H-H2O]+	208.089300	142.3
[M+HCOO]-	270.090241	163.9
[M+CH3COO]-	284.105891	186.5
[M+Na-2H]-	246.066706	155.5
[M]+	225.09149142	148.8
[M]-	225.09258858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe