CID 572441

61698-76-8

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

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

InChI

InChI=1S/C11H15NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,9,13-14H,5-7H2,(H2,12,15)

InChIKey

CQOQCZLTCMUVMX-UHFFFAOYSA-N

Compound name

2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 225.10011 Da
Monoisotopic Mass: -0.9
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]+	226.10739	149.9
[M+Na]+	248.08933	155.1
[M-H]-	224.09283	150.1
[M+NH4]+	243.13393	165.8
[M+K]+	264.06327	153.1
[M+H-H2O]+	208.09737	143.5
[M+HCOO]-	270.09831	170.2
[M+CH3COO]-	284.11396	187.0
[M+Na-2H]-	246.07478	152.0
[M]+	225.09956	149.1
[M]-	225.10066	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe