CID 2110936

2-(2-ethoxy-4-formylphenoxy)-n-ethylacetamide

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCNC(=O)COC1=C(C=C(C=C1)C=O)OCC
InChI
InChI=1S/C13H17NO4/c1-3-14-13(16)9-18-11-6-5-10(8-15)7-12(11)17-4-2/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKey
AIXZVWKVCPEYLB-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

251.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 155.7
[M+Na]+ 274.10497 162.5
[M-H]- 250.10847 159.3
[M+NH4]+ 269.14957 172.7
[M+K]+ 290.07891 161.0
[M+H-H2O]+ 234.11301 148.7
[M+HCOO]- 296.11395 180.2
[M+CH3COO]- 310.12960 197.3
[M+Na-2H]- 272.09042 159.5
[M]+ 251.11520 160.7
[M]- 251.11630 160.7
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