CID 3016654

1-(4-methoxyphenyl)propane-1,2-diol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC(C(C1=CC=C(C=C1)OC)O)O

InChI

InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3

InChIKey

MRDZSBVJWOXBRW-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 38
Patents: 182.0943 Da
Monoisotopic Mass: 0.8
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]+	183.10158	139.1
[M+Na]+	205.08352	150.0
[M+NH4]+	200.12812	146.5
[M+K]+	221.05746	145.7
[M-H]-	181.08702	139.5
[M+Na-2H]-	203.06897	144.1
[M]+	182.09375	140.6
[M]-	182.09485	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe