CID 11041407

Ethyl 2-cyclohexyl-2-oxoacetate

Structural Information

Molecular Formula
C10H16O3
SMILES
CCOC(=O)C(=O)C1CCCCC1
InChI
InChI=1S/C10H16O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKey
MAOUXDYQHDQFFV-UHFFFAOYSA-N
Compound name
ethyl 2-cyclohexyl-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

184.10994 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 141.9
[M+Na]+ 207.09916 150.9
[M+NH4]+ 202.14376 149.3
[M+K]+ 223.07310 146.2
[M-H]- 183.10266 142.3
[M+Na-2H]- 205.08461 145.3
[M]+ 184.10939 142.9
[M]- 184.11049 142.9
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

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