CID 3054554

Ethyl 1-phenoxycyclohexanecarboxylate

Structural Information

Molecular Formula
C15H20O3
SMILES
CCOC(=O)C1(CCCCC1)OC2=CC=CC=C2
InChI
InChI=1S/C15H20O3/c1-2-17-14(16)15(11-7-4-8-12-15)18-13-9-5-3-6-10-13/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChIKey
ZLDNKWIUKMOMHW-UHFFFAOYSA-N
Compound name
ethyl 1-phenoxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 159.3
[M+Na]+ 271.13047 170.7
[M+NH4]+ 266.17507 169.0
[M+K]+ 287.10441 161.9
[M-H]- 247.13397 162.9
[M+Na-2H]- 269.11592 167.8
[M]+ 248.14070 162.0
[M]- 248.14180 162.0
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

No patent data available for this compound.