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
5
Annotation Hits

0
References

7228
Patents

104.08373 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.091006 120.4
[M+Na]+ 127.072948 127.8
[M-H]- 103.076454 121.0
[M+NH4]+ 122.117553 143.7
[M+K]+ 143.046888 129.4
[M+H-H2O]+ 87.080990 116.2
[M+HCOO]- 149.081931 144.0
[M+CH3COO]- 163.097581 169.0
[M+Na-2H]- 125.058396 126.8
[M]+ 104.08318142 123.6
[M]- 104.08427858 123.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe