CID 92643

57064-98-9

Structural Information

Molecular Formula

C₁₁H₁₅NO₄

SMILES

CC(=O)NC1=CC=C(C=C1)OCC(CO)O

InChI

InChI=1S/C11H15NO4/c1-8(14)12-9-2-4-11(5-3-9)16-7-10(15)6-13/h2-5,10,13,15H,6-7H2,1H3,(H,12,14)

InChIKey

GRAOWBQCLZIQIW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 225.10011 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]+	226.107386	149.6
[M+Na]+	248.089328	154.9
[M-H]-	224.092834	150.4
[M+NH4]+	243.133933	165.9
[M+K]+	264.063268	153.3
[M+H-H2O]+	208.097370	143.3
[M+HCOO]-	270.098311	170.6
[M+CH3COO]-	284.113961	186.8
[M+Na-2H]-	246.074776	152.8
[M]+	225.09956142	149.8
[M]-	225.10065858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe