CID 5743337

6452-72-8

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

C=CCOC1=CC=CC=C1OCC2CO2

InChI

InChI=1S/C12H14O3/c1-2-7-13-11-5-3-4-6-12(11)15-9-10-8-14-10/h2-6,10H,1,7-9H2

InChIKey

FZONULHLKBOHHY-UHFFFAOYSA-N

Compound name

2-[(2-prop-2-enoxyphenoxy)methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 206.0943 Da
Monoisotopic Mass: 2.2
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]+	207.101576	144.1
[M+Na]+	229.083518	153.4
[M-H]-	205.087024	152.3
[M+NH4]+	224.128123	157.1
[M+K]+	245.057458	151.9
[M+H-H2O]+	189.091560	136.9
[M+HCOO]-	251.092501	167.9
[M+CH3COO]-	265.108151	188.3
[M+Na-2H]-	227.068966	151.4
[M]+	206.09375142	150.7
[M]-	206.09484858	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe