CID 47520

1,1,2-trimethoxyethane

Structural Information

Molecular Formula
C5H12O3
SMILES
COCC(OC)OC
InChI
InChI=1S/C5H12O3/c1-6-4-5(7-2)8-3/h5H,4H2,1-3H3
InChIKey
DYOZNCVZPFIXLU-UHFFFAOYSA-N
Compound name
1,1,2-trimethoxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

807
Patents

120.07864 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.085916 123.2
[M+Na]+ 143.067858 130.7
[M-H]- 119.071364 123.8
[M+NH4]+ 138.112463 145.9
[M+K]+ 159.041798 132.6
[M+H-H2O]+ 103.075900 118.8
[M+HCOO]- 165.076841 147.2
[M+CH3COO]- 179.092491 171.0
[M+Na-2H]- 141.053306 129.7
[M]+ 120.07809142 127.9
[M]- 120.07918858 127.9
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