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

5
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 158.8
[M+Na]+ 271.13047 162.8
[M-H]- 247.13397 164.3
[M+NH4]+ 266.17507 177.2
[M+K]+ 287.10441 161.1
[M+H-H2O]+ 231.13851 151.6
[M+HCOO]- 293.13945 178.4
[M+CH3COO]- 307.15510 191.0
[M+Na-2H]- 269.11592 163.1
[M]+ 248.14070 157.1
[M]- 248.14180 157.1
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