CID 8095

2-ethoxyethyl acetate

Structural Information

Molecular Formula
C6H12O3
SMILES
CCOCCOC(=O)C
InChI
InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3
InChIKey
SVONRAPFKPVNKG-UHFFFAOYSA-N
Compound name
2-ethoxyethyl acetate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

41
References

43720
Patents

132.07864 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.08592 126.7
[M+Na]+ 155.06786 136.7
[M+NH4]+ 150.11246 134.1
[M+K]+ 171.04180 132.0
[M-H]- 131.07136 125.4
[M+Na-2H]- 153.05331 130.1
[M]+ 132.07809 127.5
[M]- 132.07919 127.5
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