CID 73708

(morpholin-4-yl)methyl acetate

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC(=O)OCN1CCOCC1

InChI

InChI=1S/C7H13NO3/c1-7(9)11-6-8-2-4-10-5-3-8/h2-6H2,1H3

InChIKey

QWMXDVGJULYARE-UHFFFAOYSA-N

Compound name

morpholin-4-ylmethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 159.08954 Da
Monoisotopic Mass: -0.1
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]+	160.096816	133.2
[M+Na]+	182.078758	138.4
[M-H]-	158.082264	135.2
[M+NH4]+	177.123363	151.0
[M+K]+	198.052698	140.0
[M+H-H2O]+	142.086800	126.6
[M+HCOO]-	204.087741	151.7
[M+CH3COO]-	218.103391	174.4
[M+Na-2H]-	180.064206	139.2
[M]+	159.08899142	132.1
[M]-	159.09008858	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe