CID 8071

1,2-dimethoxyethane

Structural Information

Molecular Formula
C4H10O2
SMILES
COCCOC
InChI
InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
InChIKey
XTHFKEDIFFGKHM-UHFFFAOYSA-N
Compound name
1,2-dimethoxyethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

710
References

75032
Patents

90.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.075356 115.2
[M+Na]+ 113.05730 123.3
[M-H]- 89.060804 115.9
[M+NH4]+ 108.10190 139.2
[M+K]+ 129.03124 124.7
[M+H-H2O]+ 73.065340 111.2
[M+HCOO]- 135.06628 140.2
[M+CH3COO]- 149.08193 165.2
[M+Na-2H]- 111.04275 123.6
[M]+ 90.067531 118.7
[M]- 90.068629 118.7
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