CID 200863

Dtxsid10951453

Structural Information

Molecular Formula

C₈H₁₆NO₂

SMILES

CC[N+]1(CCOC(=O)C1)CC

InChI

InChI=1S/C8H16NO2/c1-3-9(4-2)5-6-11-8(10)7-9/h3-7H2,1-2H3/q+1

InChIKey

KVYXLNWEAPRYCF-UHFFFAOYSA-N

Compound name

4,4-diethylmorpholin-4-ium-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 158.1181 Da
Monoisotopic Mass: 0.7
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]+	159.125376	130.8
[M+Na]+	181.107318	137.6
[M-H]-	157.110824	133.6
[M+NH4]+	176.151923	151.1
[M+K]+	197.081258	132.7
[M+H-H2O]+	141.115360	128.3
[M+HCOO]-	203.116301	149.4
[M+CH3COO]-	217.131951	169.1
[M+Na-2H]-	179.092766	140.5
[M]+	158.11755142	128.3
[M]-	158.11864858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe