CID 601630

2-(4-formylphenoxy)acetamide

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1=CC(=CC=C1C=O)OCC(=O)N
InChI
InChI=1S/C9H9NO3/c10-9(12)6-13-8-3-1-7(5-11)2-4-8/h1-5H,6H2,(H2,10,12)
InChIKey
FLPJVCMIKUWSDR-UHFFFAOYSA-N
Compound name
2-(4-formylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30926
Patents

179.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 136.4
[M+Na]+ 202.04746 147.5
[M+NH4]+ 197.09206 143.6
[M+K]+ 218.02140 142.5
[M-H]- 178.05096 137.7
[M+Na-2H]- 200.03291 142.2
[M]+ 179.05769 138.0
[M]- 179.05879 138.0
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

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