CID 572429

2,3-epoxypropyl 4-ethylphenyl ether

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CCC1=CC=C(C=C1)OCC2CO2

InChI

InChI=1S/C11H14O2/c1-2-9-3-5-10(6-4-9)12-7-11-8-13-11/h3-6,11H,2,7-8H2,1H3

InChIKey

AQKZSTFCPAOFIV-UHFFFAOYSA-N

Compound name

2-[(4-ethylphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 481
Patents: 178.09938 Da
Monoisotopic Mass: 2.4
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]+	179.106656	136.8
[M+Na]+	201.088598	146.3
[M-H]-	177.092104	145.2
[M+NH4]+	196.133203	151.1
[M+K]+	217.062538	145.4
[M+H-H2O]+	161.096640	129.9
[M+HCOO]-	223.097581	160.7
[M+CH3COO]-	237.113231	184.3
[M+Na-2H]-	199.074046	144.8
[M]+	178.09883142	142.4
[M]-	178.09992858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe