CID 31361

2,2-diethoxypropane

Structural Information

Molecular Formula
C7H16O2
SMILES
CCOC(C)(C)OCC
InChI
InChI=1S/C7H16O2/c1-5-8-7(3,4)9-6-2/h5-6H2,1-4H3
InChIKey
FGQLGYBGTRHODR-UHFFFAOYSA-N
Compound name
2,2-diethoxypropane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

2009
Patents

132.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.122316 129.2
[M+Na]+ 155.104258 136.6
[M-H]- 131.107764 129.7
[M+NH4]+ 150.148863 151.7
[M+K]+ 171.078198 137.5
[M+H-H2O]+ 115.112300 125.3
[M+HCOO]- 177.113241 151.7
[M+CH3COO]- 191.128891 174.6
[M+Na-2H]- 153.089706 136.6
[M]+ 132.11449142 133.4
[M]- 132.11558858 133.4
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