CID 16227314

2-chloro-1-(2-methylmorpholin-4-yl)ethan-1-one

Structural Information

Molecular Formula

C₇H₁₂ClNO₂

SMILES

CC1CN(CCO1)C(=O)CCl

InChI

InChI=1S/C7H12ClNO2/c1-6-5-9(2-3-11-6)7(10)4-8/h6H,2-5H2,1H3

InChIKey

UPHYMIAUTVSZNH-UHFFFAOYSA-N

Compound name

2-chloro-1-(2-methylmorpholin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.05565 Da
Monoisotopic Mass: 0.4
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]+	178.062926	135.7
[M+Na]+	200.044868	142.7
[M-H]-	176.048374	138.0
[M+NH4]+	195.089473	154.1
[M+K]+	216.018808	141.7
[M+H-H2O]+	160.052910	130.3
[M+HCOO]-	222.053851	149.4
[M+CH3COO]-	236.069501	177.3
[M+Na-2H]-	198.030316	140.6
[M]+	177.05510142	135.4
[M]-	177.05619858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe