CID 11018907

3-hydroxy-n-(2-hydroxyethyl)propanamide

Structural Information

Molecular Formula

C₅H₁₁NO₃

SMILES

C(CO)C(=O)NCCO

InChI

InChI=1S/C5H11NO3/c7-3-1-5(9)6-2-4-8/h7-8H,1-4H2,(H,6,9)

InChIKey

BDUROWSFHVNSDJ-UHFFFAOYSA-N

Compound name

3-hydroxy-N-(2-hydroxyethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 107
Patents: 133.0739 Da
Monoisotopic Mass: -1.9
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]+	134.08118	127.6
[M+Na]+	156.06312	133.5
[M-H]-	132.06662	125.1
[M+NH4]+	151.10772	147.7
[M+K]+	172.03706	132.9
[M+H-H2O]+	116.07116	122.9
[M+HCOO]-	178.07210	149.6
[M+CH3COO]-	192.08775	169.0
[M+Na-2H]-	154.04857	133.0
[M]+	133.07335	126.7
[M]-	133.07445	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe