CID 3085516

2,5,7,10-tetraoxaundecane, 6-ethyl-

Structural Information

Molecular Formula
C9H20O4
SMILES
CCC(OCCOC)OCCOC
InChI
InChI=1S/C9H20O4/c1-4-9(12-7-5-10-2)13-8-6-11-3/h9H,4-8H2,1-3H3
InChIKey
BSPVHDPHFUHFRW-UHFFFAOYSA-N
Compound name
1,1-bis(2-methoxyethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

192.13615 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14343 144.7
[M+Na]+ 215.12537 150.4
[M-H]- 191.12887 144.4
[M+NH4]+ 210.16997 164.4
[M+K]+ 231.09931 151.8
[M+H-H2O]+ 175.13341 139.1
[M+HCOO]- 237.13435 167.5
[M+CH3COO]- 251.15000 185.0
[M+Na-2H]- 213.11082 149.0
[M]+ 192.13560 152.4
[M]- 192.13670 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe