CID 8857

Ethyl acetate

Structural Information

Molecular Formula
C4H8O2
SMILES
CCOC(=O)C
InChI
InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey
XEKOWRVHYACXOJ-UHFFFAOYSA-N
Compound name
ethyl acetate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

9215
References

352714
Patents

88.05243 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.059706 114.1
[M+Na]+ 111.04165 122.4
[M-H]- 87.045154 115.0
[M+NH4]+ 106.08625 138.1
[M+K]+ 127.01559 123.6
[M+H-H2O]+ 71.049690 110.3
[M+HCOO]- 133.05063 138.4
[M+CH3COO]- 147.06628 164.3
[M+Na-2H]- 109.02710 121.2
[M]+ 88.051881 116.2
[M]- 88.052979 116.2
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.