CID 13161755

Brn 4469841

Structural Information

Molecular Formula
C15H18O3
SMILES
CCOC(=O)COC1=CC=C(C=C1)C2CCC=C2
InChI
InChI=1S/C15H18O3/c1-2-17-15(16)11-18-14-9-7-13(8-10-14)12-5-3-4-6-12/h3,5,7-10,12H,2,4,6,11H2,1H3
InChIKey
KRSTTZIBTVFJJY-UHFFFAOYSA-N
Compound name
ethyl 2-(4-cyclopent-2-en-1-ylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.1256 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 157.7
[M+Na]+ 269.11482 169.1
[M+NH4]+ 264.15942 165.7
[M+K]+ 285.08876 164.1
[M-H]- 245.11832 160.7
[M+Na-2H]- 267.10027 164.2
[M]+ 246.12505 160.0
[M]- 246.12615 160.0
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.