CID 137943

1,3-diethoxypropane

Structural Information

Molecular Formula
C7H16O2
SMILES
CCOCCCOCC
InChI
InChI=1S/C7H16O2/c1-3-8-6-5-7-9-4-2/h3-7H2,1-2H3
InChIKey
IOQSSIPMPIYMDF-UHFFFAOYSA-N
Compound name
1,3-diethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2051
Patents

132.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.12232 129.3
[M+Na]+ 155.10426 136.1
[M-H]- 131.10776 129.4
[M+NH4]+ 150.14886 151.6
[M+K]+ 171.07820 136.7
[M+H-H2O]+ 115.11230 124.6
[M+HCOO]- 177.11324 153.3
[M+CH3COO]- 191.12889 174.3
[M+Na-2H]- 153.08971 136.0
[M]+ 132.11449 134.0
[M]- 132.11559 134.0
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