CID 15430830

35544-45-7

Structural Information

Molecular Formula

C₆H₁₃NO₃

SMILES

COCCC(=O)NCCO

InChI

InChI=1S/C6H13NO3/c1-10-5-2-6(9)7-3-4-8/h8H,2-5H2,1H3,(H,7,9)

InChIKey

OUBLOFZFNZSRQY-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-3-methoxypropanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 147.08954 Da
Monoisotopic Mass: -1.4
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]+	148.096816	131.5
[M+Na]+	170.078758	137.4
[M-H]-	146.082264	130.3
[M+NH4]+	165.123363	151.8
[M+K]+	186.052698	137.5
[M+H-H2O]+	130.086800	126.4
[M+HCOO]-	192.087741	154.7
[M+CH3COO]-	206.103391	174.6
[M+Na-2H]-	168.064206	136.9
[M]+	147.08899142	132.9
[M]-	147.09008858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe