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

8
Patents

251.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 155.7
[M+Na]+ 274.104968 162.5
[M-H]- 250.108474 159.3
[M+NH4]+ 269.149573 172.7
[M+K]+ 290.078908 161.0
[M+H-H2O]+ 234.113010 148.7
[M+HCOO]- 296.113951 180.2
[M+CH3COO]- 310.129601 197.3
[M+Na-2H]- 272.090416 159.5
[M]+ 251.11520142 160.7
[M]- 251.11629858 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