CID 87536

N-(2-hydroxyethyl)propionamide

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CCC(=O)NCCO

InChI

InChI=1S/C5H11NO2/c1-2-5(8)6-3-4-7/h7H,2-4H2,1H3,(H,6,8)

InChIKey

GQKLTNAIFDFUDN-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 912
Patents: 117.07898 Da
Monoisotopic Mass: -0.7
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]+	118.086256	124.3
[M+Na]+	140.068198	130.7
[M-H]-	116.071704	123.4
[M+NH4]+	135.112803	145.9
[M+K]+	156.042138	130.6
[M+H-H2O]+	100.076240	119.7
[M+HCOO]-	162.077181	147.6
[M+CH3COO]-	176.092831	169.4
[M+Na-2H]-	138.053646	130.3
[M]+	117.07843142	123.9
[M]-	117.07952858	123.9

Literature stripe

literature stripe

Patent stripe

patents stripe