CID 14211540

81346-71-6

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₃

SMILES

C1=CC(=CC=C1CC(=O)N)OCC(CN)O

InChI

InChI=1S/C11H16N2O3/c12-6-9(14)7-16-10-3-1-8(2-4-10)5-11(13)15/h1-4,9,14H,5-7,12H2,(H2,13,15)

InChIKey

UWMXVJVTKRSOPW-UHFFFAOYSA-N

Compound name

2-[4-(3-amino-2-hydroxypropoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 1
Patents: 224.11609 Da
Monoisotopic Mass: -1.2
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]+	225.12337	150.8
[M+Na]+	247.10531	158.9
[M+NH4]+	242.14991	156.7
[M+K]+	263.07925	155.2
[M-H]-	223.10881	151.5
[M+Na-2H]-	245.09076	154.3
[M]+	224.11554	151.6
[M]-	224.11664	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe