CID 2759228

2-(2-formylphenoxy)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

179.05824 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 135.2
[M+Na]+ 202.04746 142.9
[M-H]- 178.05096 138.6
[M+NH4]+ 197.09206 154.6
[M+K]+ 218.02140 141.4
[M+H-H2O]+ 162.05550 129.1
[M+HCOO]- 224.05644 160.3
[M+CH3COO]- 238.07209 181.8
[M+Na-2H]- 200.03291 140.7
[M]+ 179.05769 136.0
[M]- 179.05879 136.0
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