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]+ 201.11214 144.3
[M+Na]+ 223.09408 148.2
[M-H]- 199.09758 147.4
[M+NH4]+ 218.13868 161.6
[M+K]+ 239.06802 149.5
[M+H-H2O]+ 183.10212 138.2
[M+HCOO]- 245.10306 162.6
[M+CH3COO]- 259.11871 182.9
[M+Na-2H]- 221.07953 147.6
[M]+ 200.10431 143.9
[M]- 200.10541 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