CID 12600150

2-(2,2-diethoxyethoxy)propane

Structural Information

Molecular Formula
C9H20O3
SMILES
CCOC(COC(C)C)OCC
InChI
InChI=1S/C9H20O3/c1-5-10-9(11-6-2)7-12-8(3)4/h8-9H,5-7H2,1-4H3
InChIKey
APQLLWRAYFLKQA-UHFFFAOYSA-N
Compound name
2-(2,2-diethoxyethoxy)propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

176.14125 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.14853 140.7
[M+Na]+ 199.13047 149.6
[M+NH4]+ 194.17507 147.6
[M+K]+ 215.10441 145.1
[M-H]- 175.13397 139.3
[M+Na-2H]- 197.11592 143.0
[M]+ 176.14070 141.3
[M]- 176.14180 141.3
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