CID 8165

2-(2-ethoxyethoxy)ethyl acetate

Structural Information

Molecular Formula
C8H16O4
SMILES
CCOCCOCCOC(=O)C
InChI
InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3
InChIKey
FPZWZCWUIYYYBU-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

0
References

67457
Patents

176.10486 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.112136 138.6
[M+Na]+ 199.094078 145.1
[M-H]- 175.097584 138.6
[M+NH4]+ 194.138683 158.9
[M+K]+ 215.068018 146.1
[M+H-H2O]+ 159.102120 133.4
[M+HCOO]- 221.103061 162.0
[M+CH3COO]- 235.118711 180.4
[M+Na-2H]- 197.079526 143.5
[M]+ 176.10431142 145.1
[M]- 176.10540858 145.1
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