CID 85173

2-methyl-3-phenoxypropane-1,2-diol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC(CO)(COC1=CC=CC=C1)O

InChI

InChI=1S/C10H14O3/c1-10(12,7-11)8-13-9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3

InChIKey

FDXOWEXWCPILKM-UHFFFAOYSA-N

Compound name

2-methyl-3-phenoxypropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
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	139.2
[M+Na]+	205.08352	150.2
[M+NH4]+	200.12812	146.7
[M+K]+	221.05746	145.3
[M-H]-	181.08702	139.4
[M+Na-2H]-	203.06897	145.1
[M]+	182.09375	140.7
[M]-	182.09485	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe