CID 202710

Morpholine, 4-(2,2-dimethylvaleryl)-

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CCCC(C)(C)C(=O)N1CCOCC1

InChI

InChI=1S/C11H21NO2/c1-4-5-11(2,3)10(13)12-6-8-14-9-7-12/h4-9H2,1-3H3

InChIKey

BFQUBOFIRCGKPE-UHFFFAOYSA-N

Compound name

2,2-dimethyl-1-morpholin-4-ylpentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 199.15723 Da
Monoisotopic Mass: 1.6
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]+	200.164506	148.0
[M+Na]+	222.146448	152.1
[M-H]-	198.149954	149.7
[M+NH4]+	217.191053	164.5
[M+K]+	238.120388	152.6
[M+H-H2O]+	182.154490	141.7
[M+HCOO]-	244.155431	163.5
[M+CH3COO]-	258.171081	184.7
[M+Na-2H]-	220.131896	152.7
[M]+	199.15668142	146.5
[M]-	199.15777858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe