CID 219637

Ethyl 2-oxo-2-(2-oxocyclohexyl)acetate

Structural Information

Molecular Formula
C10H14O4
SMILES
CCOC(=O)C(=O)C1CCCCC1=O
InChI
InChI=1S/C10H14O4/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h7H,2-6H2,1H3
InChIKey
SIQOFNOENHOIFT-UHFFFAOYSA-N
Compound name
ethyl 2-oxo-2-(2-oxocyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

198.0892 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 141.5
[M+Na]+ 221.07842 146.6
[M-H]- 197.08192 144.3
[M+NH4]+ 216.12302 160.4
[M+K]+ 237.05236 146.4
[M+H-H2O]+ 181.08646 135.9
[M+HCOO]- 243.08740 160.9
[M+CH3COO]- 257.10305 183.2
[M+Na-2H]- 219.06387 143.3
[M]+ 198.08865 140.2
[M]- 198.08975 140.2
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