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
3
Annotation Hits

3
References

2131
Patents

132.11504 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 129.2
[M+Na]+ 155.10426 136.6
[M-H]- 131.10776 129.7
[M+NH4]+ 150.14886 151.7
[M+K]+ 171.07820 137.5
[M+H-H2O]+ 115.11230 125.3
[M+HCOO]- 177.11324 151.7
[M+CH3COO]- 191.12889 174.6
[M+Na-2H]- 153.08971 136.6
[M]+ 132.11449 133.4
[M]- 132.11559 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