CID 121279

Fc 421

Structural Information

Molecular Formula

C₁₄H₁₉NO₃

SMILES

CC1=C(C(=CC=C1)C)OC(=O)CN2CCOCC2

InChI

InChI=1S/C14H19NO3/c1-11-4-3-5-12(2)14(11)18-13(16)10-15-6-8-17-9-7-15/h3-5H,6-10H2,1-2H3

InChIKey

PIISLVHOMVGWAB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 249.13649 Da
Monoisotopic Mass: 2.1
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]+	250.14377	157.7
[M+Na]+	272.12571	170.1
[M+NH4]+	267.17031	165.1
[M+K]+	288.09965	164.2
[M-H]-	248.12921	161.8
[M+Na-2H]-	270.11116	163.5
[M]+	249.13594	160.5
[M]-	249.13704	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe