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: 6857
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]+	223.09648	133.3
[M+Na]+	245.07842	147.2
[M+NH4]+	240.12302	141.7
[M+K]+	261.05236	145.8
[M-H]-	221.08192	150.9
[M+Na-2H]-	243.06387	145.4
[M]+	222.08865	142.3
[M]-	222.08975	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe