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 142.5
[M+Na]+ 199.13047 148.0
[M-H]- 175.13397 142.3
[M+NH4]+ 194.17507 162.8
[M+K]+ 215.10441 149.4
[M+H-H2O]+ 159.13851 137.3
[M+HCOO]- 221.13945 164.1
[M+CH3COO]- 235.15510 183.9
[M+Na-2H]- 197.11592 145.4
[M]+ 176.14070 148.0
[M]- 176.14180 148.0
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