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 157.2
[M+Na]+ 269.11482 163.1
[M-H]- 245.11832 163.5
[M+NH4]+ 264.15942 176.0
[M+K]+ 285.08876 160.8
[M+H-H2O]+ 229.12286 150.1
[M+HCOO]- 291.12380 180.4
[M+CH3COO]- 305.13945 191.8
[M+Na-2H]- 267.10027 159.3
[M]+ 246.12505 159.2
[M]- 246.12615 159.2
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.