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]+ 247.132876 157.2
[M+Na]+ 269.114818 163.1
[M-H]- 245.118324 163.5
[M+NH4]+ 264.159423 176.0
[M+K]+ 285.088758 160.8
[M+H-H2O]+ 229.122860 150.1
[M+HCOO]- 291.123801 180.4
[M+CH3COO]- 305.139451 191.8
[M+Na-2H]- 267.100266 159.3
[M]+ 246.12505142 159.2
[M]- 246.12614858 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.