CID 90459

N-(2-hydroxyethyl)-3-oxobutanamide

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC(=O)CC(=O)NCCO

InChI

InChI=1S/C6H11NO3/c1-5(9)4-6(10)7-2-3-8/h8H,2-4H2,1H3,(H,7,10)

InChIKey

CYLHYHWFVOHKMK-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 135
Patents: 145.0739 Da
Monoisotopic Mass: -1.3
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]+	146.081176	130.6
[M+Na]+	168.063118	136.6
[M-H]-	144.066624	129.5
[M+NH4]+	163.107723	150.8
[M+K]+	184.037058	136.5
[M+H-H2O]+	128.071160	125.7
[M+HCOO]-	190.072101	153.0
[M+CH3COO]-	204.087751	174.5
[M+Na-2H]-	166.048566	134.7
[M]+	145.07335142	130.6
[M]-	145.07444858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe