CID 106710

Ethyl 2-acetyl-3-oxodecanoate

Structural Information

Molecular Formula
C14H24O4
SMILES
CCCCCCCC(=O)C(C(=O)C)C(=O)OCC
InChI
InChI=1S/C14H24O4/c1-4-6-7-8-9-10-12(16)13(11(3)15)14(17)18-5-2/h13H,4-10H2,1-3H3
InChIKey
HWJMRLHWXKAVSJ-UHFFFAOYSA-N
Compound name
ethyl 2-acetyl-3-oxodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

256.16745 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17473 163.5
[M+Na]+ 279.15667 167.5
[M-H]- 255.16017 162.7
[M+NH4]+ 274.20127 180.3
[M+K]+ 295.13061 167.2
[M+H-H2O]+ 239.16471 157.7
[M+HCOO]- 301.16565 182.4
[M+CH3COO]- 315.18130 199.2
[M+Na-2H]- 277.14212 161.6
[M]+ 256.16690 169.0
[M]- 256.16800 169.0
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