CID 252506

N-(2-hydroxyethyl)butyramide

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCCC(=O)NCCO

InChI

InChI=1S/C6H13NO2/c1-2-3-6(9)7-4-5-8/h8H,2-5H2,1H3,(H,7,9)

InChIKey

ZWHVMTQUUANYQJ-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 202
Patents: 131.09464 Da
Monoisotopic Mass: -0.3
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]+	132.10192	128.3
[M+Na]+	154.08386	136.8
[M+NH4]+	149.12846	135.3
[M+K]+	170.05780	132.3
[M-H]-	130.08736	127.1
[M+Na-2H]-	152.06931	131.1
[M]+	131.09409	128.7
[M]-	131.09519	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe