CID 366916

3-(p-acetylphenoxy)-1,2-propanediol

Structural Information

Molecular Formula

C₁₁H₁₄O₄

SMILES

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

InChI

InChI=1S/C11H14O4/c1-8(13)9-2-4-11(5-3-9)15-7-10(14)6-12/h2-5,10,12,14H,6-7H2,1H3

InChIKey

WLBDHRQPFMZSBF-UHFFFAOYSA-N

Compound name

1-[4-(2,3-dihydroxypropoxy)phenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 210.0892 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]+	211.09648	145.8
[M+Na]+	233.07842	156.1
[M+NH4]+	228.12302	152.1
[M+K]+	249.05236	152.0
[M-H]-	209.08192	145.4
[M+Na-2H]-	231.06387	149.9
[M]+	210.08865	146.8
[M]-	210.08975	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe