CID 16606

2186-24-5

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

CC1=CC=C(C=C1)OCC2CO2

InChI

InChI=1S/C10H12O2/c1-8-2-4-9(5-3-8)11-6-10-7-12-10/h2-5,10H,6-7H2,1H3

InChIKey

CUFXMPWHOWYNSO-UHFFFAOYSA-N

Compound name

2-[(4-methylphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 10
References: 10707
Patents: 164.08372 Da
Monoisotopic Mass: 2.0
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]+	165.09100	135.2
[M+Na]+	187.07294	150.3
[M+NH4]+	182.11754	145.0
[M+K]+	203.04688	145.1
[M-H]-	163.07644	147.1
[M+Na-2H]-	185.05839	145.7
[M]+	164.08317	142.0
[M]-	164.08427	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe