CID 62443

2425-01-6

Structural Information

Molecular Formula

C₁₂H₁₄O₄

SMILES

C1C(O1)COC2=CC=C(C=C2)OCC3CO3

InChI

InChI=1S/C12H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1-4,11-12H,5-8H2

InChIKey

FSYPIGPPWAJCJG-UHFFFAOYSA-N

Compound name

2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 6923
Patents: 222.0892 Da
Monoisotopic Mass: 1.2
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]+	223.096476	154.8
[M+Na]+	245.078418	162.6
[M-H]-	221.081924	165.7
[M+NH4]+	240.123023	159.9
[M+K]+	261.052358	164.2
[M+H-H2O]+	205.086460	147.5
[M+HCOO]-	267.087401	174.6
[M+CH3COO]-	281.103051	198.6
[M+Na-2H]-	243.063866	160.7
[M]+	222.08865142	163.3
[M]-	222.08974858	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe