CID 65333416

Ethyl 3-(oxan-3-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOC(=O)CC(=O)C1CCCOC1
InChI
InChI=1S/C10H16O4/c1-2-14-10(12)6-9(11)8-4-3-5-13-7-8/h8H,2-7H2,1H3
InChIKey
PLYUNVCCQOPPQC-UHFFFAOYSA-N
Compound name
ethyl 3-(oxan-3-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

200.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 144.3
[M+Na]+ 223.094078 148.2
[M-H]- 199.097584 147.4
[M+NH4]+ 218.138683 161.6
[M+K]+ 239.068018 149.5
[M+H-H2O]+ 183.102120 138.2
[M+HCOO]- 245.103061 162.6
[M+CH3COO]- 259.118711 182.9
[M+Na-2H]- 221.079526 147.6
[M]+ 200.10431142 143.9
[M]- 200.10540858 143.9
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

patents stripe