CID 97895

1-ethoxyethyl acetate

Structural Information

Molecular Formula
C6H12O3
SMILES
CCOC(C)OC(=O)C
InChI
InChI=1S/C6H12O3/c1-4-8-6(3)9-5(2)7/h6H,4H2,1-3H3
InChIKey
FAIARWOGQAQTPS-UHFFFAOYSA-N
Compound name
1-ethoxyethyl acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

5439
Patents

132.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.085916 126.7
[M+Na]+ 155.067858 133.9
[M-H]- 131.071364 127.2
[M+NH4]+ 150.112463 148.8
[M+K]+ 171.041798 135.4
[M+H-H2O]+ 115.075900 122.2
[M+HCOO]- 177.076841 149.5
[M+CH3COO]- 191.092491 173.2
[M+Na-2H]- 153.053306 131.4
[M]+ 132.07809142 130.3
[M]- 132.07918858 130.3
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