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

67069
Patents

176.10486 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 138.6
[M+Na]+ 199.09408 145.1
[M-H]- 175.09758 138.6
[M+NH4]+ 194.13868 158.9
[M+K]+ 215.06802 146.1
[M+H-H2O]+ 159.10212 133.4
[M+HCOO]- 221.10306 162.0
[M+CH3COO]- 235.11871 180.4
[M+Na-2H]- 197.07953 143.5
[M]+ 176.10431 145.1
[M]- 176.10541 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.