CID 43390

1,1,2-triethoxyethane

Structural Information

Molecular Formula
C8H18O3
SMILES
CCOCC(OCC)OCC
InChI
InChI=1S/C8H18O3/c1-4-9-7-8(10-5-2)11-6-3/h8H,4-7H2,1-3H3
InChIKey
VNSJUZIHZNZLKM-UHFFFAOYSA-N
Compound name
1,1,2-triethoxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

435
Patents

162.1256 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.132876 137.4
[M+Na]+ 185.114818 143.6
[M-H]- 161.118324 137.4
[M+NH4]+ 180.159423 158.4
[M+K]+ 201.088758 144.7
[M+H-H2O]+ 145.122860 132.3
[M+HCOO]- 207.123801 160.3
[M+CH3COO]- 221.139451 180.0
[M+Na-2H]- 183.100266 142.2
[M]+ 162.12505142 143.2
[M]- 162.12614858 143.2
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