CID 107172

3775-84-6

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC(OCC1CO1)OCC2CO2

InChI

InChI=1S/C8H14O4/c1-6(9-2-7-4-11-7)10-3-8-5-12-8/h6-8H,2-5H2,1H3

InChIKey

MIQWTCWXRZROTM-UHFFFAOYSA-N

Compound name

2-[1-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 586
Patents: 174.0892 Da
Monoisotopic Mass: -0.2
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]+	175.096476	147.6
[M+Na]+	197.078418	154.8
[M-H]-	173.081924	156.0
[M+NH4]+	192.123023	154.3
[M+K]+	213.052358	157.0
[M+H-H2O]+	157.086460	140.7
[M+HCOO]-	219.087401	165.9
[M+CH3COO]-	233.103051	192.1
[M+Na-2H]-	195.063866	152.8
[M]+	174.08865142	156.4
[M]-	174.08974858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe