CID 12375

1,2-diethoxyethane

Structural Information

Molecular Formula
C6H14O2
SMILES
CCOCCOCC
InChI
InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3
InChIKey
LZDKZFUFMNSQCJ-UHFFFAOYSA-N
Compound name
1,2-diethoxyethane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

20
References

117610
Patents

118.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.10666 123.8
[M+Na]+ 141.08860 134.5
[M+NH4]+ 136.13320 132.1
[M+K]+ 157.06254 128.6
[M-H]- 117.09210 123.5
[M+Na-2H]- 139.07405 128.2
[M]+ 118.09883 125.1
[M]- 118.09993 125.1
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