CID 220512

2-hydroxy-1-(morpholin-4-yl)propan-1-one

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CC(C(=O)N1CCOCC1)O

InChI

InChI=1S/C7H13NO3/c1-6(9)7(10)8-2-4-11-5-3-8/h6,9H,2-5H2,1H3

InChIKey

LIEYNOJBDICZQM-UHFFFAOYSA-N

Compound name

2-hydroxy-1-morpholin-4-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 159.08954 Da
Monoisotopic Mass: -0.9
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	134.3
[M+Na]+	182.078758	138.8
[M-H]-	158.082264	135.0
[M+NH4]+	177.123363	151.3
[M+K]+	198.052698	139.9
[M+H-H2O]+	142.086800	128.0
[M+HCOO]-	204.087741	150.3
[M+CH3COO]-	218.103391	172.7
[M+Na-2H]-	180.064206	138.5
[M]+	159.08899142	130.7
[M]-	159.09008858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe