CID 97961

3332-48-7

Structural Information

Molecular Formula

C₁₀H₁₈O₄

SMILES

CC(CCOCC1CO1)OCC2CO2

InChI

InChI=1S/C10H18O4/c1-8(12-5-10-7-14-10)2-3-11-4-9-6-13-9/h8-10H,2-7H2,1H3

InChIKey

JROOCDXTPKCUIO-UHFFFAOYSA-N

Compound name

2-[4-(oxiran-2-ylmethoxy)butan-2-yloxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 597
Patents: 202.12051 Da
Monoisotopic Mass: 0.1
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]+	203.12779	127.7
[M+Na]+	225.10973	139.0
[M+NH4]+	220.15433	135.3
[M+K]+	241.08367	139.1
[M-H]-	201.11323	142.9
[M+Na-2H]-	223.09518	137.1
[M]+	202.11996	135.5
[M]-	202.12106	135.5

Literature stripe

literature stripe

Patent stripe

patents stripe