CID 200444

Fc 440

Structural Information

Molecular Formula

C₁₆H₂₃NO₃

SMILES

CCC(C(=O)OC1=C(C=CC=C1C)C)N2CCOCC2

InChI

InChI=1S/C16H23NO3/c1-4-14(17-8-10-19-11-9-17)16(18)20-15-12(2)6-5-7-13(15)3/h5-7,14H,4,8-11H2,1-3H3

InChIKey

OROCNIVPROKTPV-UHFFFAOYSA-N

Compound name

(2,6-dimethylphenyl) 2-morpholin-4-ylbutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.1678 Da
Monoisotopic Mass: 3.0
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]+	278.175076	166.8
[M+Na]+	300.157018	171.1
[M-H]-	276.160524	171.8
[M+NH4]+	295.201623	179.9
[M+K]+	316.130958	170.2
[M+H-H2O]+	260.165060	158.3
[M+HCOO]-	322.166001	182.8
[M+CH3COO]-	336.181651	200.4
[M+Na-2H]-	298.142466	167.8
[M]+	277.16725142	166.5
[M]-	277.16834858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.