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
7
Annotation Hits

20
References

139885
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 124.6
[M+Na]+ 141.08860 131.9
[M-H]- 117.09210 124.9
[M+NH4]+ 136.13320 147.5
[M+K]+ 157.06254 132.7
[M+H-H2O]+ 101.09664 120.1
[M+HCOO]- 163.09758 149.0
[M+CH3COO]- 177.11323 171.3
[M+Na-2H]- 139.07405 131.8
[M]+ 118.09883 128.9
[M]- 118.09993 128.9
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