CID 266327

Ethyl 3-cyclohexyl-3-oxopropanoate

Structural Information

Molecular Formula
C11H18O3
SMILES
CCOC(=O)CC(=O)C1CCCCC1
InChI
InChI=1S/C11H18O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3
InChIKey
ASYASKBLHYSMEG-UHFFFAOYSA-N
Compound name
ethyl 3-cyclohexyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

198.1256 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.13288 146.0
[M+Na]+ 221.11482 149.5
[M-H]- 197.11832 148.3
[M+NH4]+ 216.15942 164.8
[M+K]+ 237.08876 149.1
[M+H-H2O]+ 181.12286 140.0
[M+HCOO]- 243.12380 164.6
[M+CH3COO]- 257.13945 183.8
[M+Na-2H]- 219.10027 147.7
[M]+ 198.12505 144.0
[M]- 198.12615 144.0
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