CID 25298

1-ethoxy-1-methoxyethane

Structural Information

Molecular Formula

C₅H₁₂O₂

SMILES

CCOC(C)OC

InChI

InChI=1S/C5H12O2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3

InChIKey

MYCXIDKAJBXPCZ-UHFFFAOYSA-N

Compound name

1-ethoxy-1-methoxyethane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 7164
Patents: 104.08373 Da
Monoisotopic Mass: 0.8
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]+	105.09101	120.4
[M+Na]+	127.07295	127.8
[M-H]-	103.07645	121.0
[M+NH4]+	122.11755	143.7
[M+K]+	143.04689	129.4
[M+H-H2O]+	87.080990	116.2
[M+HCOO]-	149.08193	144.0
[M+CH3COO]-	163.09758	169.0
[M+Na-2H]-	125.05840	126.8
[M]+	104.08318	123.6
[M]-	104.08428	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe