CID 203567

2-benzyloxy-1,3-propanediol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1=CC=C(C=C1)COC(CO)CO

InChI

InChI=1S/C10H14O3/c11-6-10(7-12)13-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChIKey

UDIPIOHLDFSMLR-UHFFFAOYSA-N

Compound name

2-phenylmethoxypropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 841
Patents: 182.0943 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]+	183.10158	139.5
[M+Na]+	205.08352	150.4
[M+NH4]+	200.12812	147.0
[M+K]+	221.05746	145.1
[M-H]-	181.08702	140.1
[M+Na-2H]-	203.06897	145.0
[M]+	182.09375	141.0
[M]-	182.09485	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe