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]+ 249.148526 158.8
[M+Na]+ 271.130468 162.8
[M-H]- 247.133974 164.3
[M+NH4]+ 266.175073 177.2
[M+K]+ 287.104408 161.1
[M+H-H2O]+ 231.138510 151.6
[M+HCOO]- 293.139451 178.4
[M+CH3COO]- 307.155101 191.0
[M+Na-2H]- 269.115916 163.1
[M]+ 248.14070142 157.1
[M]- 248.14179858 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