CID 77223

1,1-diethoxypentane

Structural Information

Molecular Formula
C9H20O2
SMILES
CCCCC(OCC)OCC
InChI
InChI=1S/C9H20O2/c1-4-7-8-9(10-5-2)11-6-3/h9H,4-8H2,1-3H3
InChIKey
XCWKYQWOLSOBCC-UHFFFAOYSA-N
Compound name
1,1-diethoxypentane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

226
Patents

160.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.15361 139.2
[M+Na]+ 183.13555 145.0
[M-H]- 159.13905 139.1
[M+NH4]+ 178.18015 160.3
[M+K]+ 199.10949 145.5
[M+H-H2O]+ 143.14359 134.2
[M+HCOO]- 205.14453 161.6
[M+CH3COO]- 219.16018 181.1
[M+Na-2H]- 181.12100 143.5
[M]+ 160.14578 144.0
[M]- 160.14688 144.0
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