CID 207426

Ethyl 2-(4-cyanophenoxy)acetate

Structural Information

Molecular Formula
C11H11NO3
SMILES
CCOC(=O)COC1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H11NO3/c1-2-14-11(13)8-15-10-5-3-9(7-12)4-6-10/h3-6H,2,8H2,1H3
InChIKey
FZIFHLRZVOQASN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-cyanophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

128
Patents

205.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.5
[M+Na]+ 228.06312 153.1
[M-H]- 204.06662 146.8
[M+NH4]+ 223.10772 160.7
[M+K]+ 244.03706 151.0
[M+H-H2O]+ 188.07116 130.9
[M+HCOO]- 250.07210 163.8
[M+CH3COO]- 264.08775 196.9
[M+Na-2H]- 226.04857 148.5
[M]+ 205.07335 142.0
[M]- 205.07445 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe