CID 8134

2-(2-methoxyethoxy)ethanol

Structural Information

Molecular Formula
C5H12O3
SMILES
COCCOCCO
InChI
InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
InChIKey
SBASXUCJHJRPEV-UHFFFAOYSA-N
Compound name
2-(2-methoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

26
References

17225
Patents

120.07864 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.08592 122.9
[M+Na]+ 143.06786 132.7
[M+NH4]+ 138.11246 130.4
[M+K]+ 159.04180 127.9
[M-H]- 119.07136 121.6
[M+Na-2H]- 141.05331 126.4
[M]+ 120.07809 123.6
[M]- 120.07919 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