CID 56738

94158-44-8

Structural Information

Molecular Formula
C7H16O4
SMILES
COCCOCC(OC)OC
InChI
InChI=1S/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3
InChIKey
JPOUJDLGAPEXAN-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-2-(2-methoxyethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

33
Patents

164.10486 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11214 135.3
[M+Na]+ 187.09408 141.8
[M-H]- 163.09758 135.4
[M+NH4]+ 182.13868 156.1
[M+K]+ 203.06802 143.8
[M+H-H2O]+ 147.10212 130.2
[M+HCOO]- 209.10306 158.8
[M+CH3COO]- 223.11871 179.0
[M+Na-2H]- 185.07953 140.7
[M]+ 164.10431 142.3
[M]- 164.10541 142.3
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