CID 4143920

379254-90-7

Structural Information

Molecular Formula

C₈H₁₄ClNO₂

SMILES

CC1CN(CC(O1)C)C(=O)CCl

InChI

InChI=1S/C8H14ClNO2/c1-6-4-10(8(11)3-9)5-7(2)12-6/h6-7H,3-5H2,1-2H3

InChIKey

SMTSEWHPTUIWBY-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,6-dimethylmorpholin-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 191.0713 Da
Monoisotopic Mass: 0.8
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]+	192.078576	139.9
[M+Na]+	214.060518	147.4
[M-H]-	190.064024	142.4
[M+NH4]+	209.105123	158.0
[M+K]+	230.034458	146.2
[M+H-H2O]+	174.068560	134.6
[M+HCOO]-	236.069501	153.3
[M+CH3COO]-	250.085151	181.5
[M+Na-2H]-	212.045966	143.6
[M]+	191.07075142	140.4
[M]-	191.07184858	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe