CID 819289

2-furanacrylamide

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1=COC(=C1)/C=C/C(=O)N
InChI
InChI=1S/C7H7NO2/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H2,8,9)/b4-3+
InChIKey
XSVYCXHKWNFZLL-ONEGZZNKSA-N
Compound name
(E)-3-(furan-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

28
Patents

137.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 126.7
[M+Na]+ 160.036898 134.3
[M-H]- 136.040404 130.6
[M+NH4]+ 155.081503 148.1
[M+K]+ 176.010838 133.8
[M+H-H2O]+ 120.044940 121.3
[M+HCOO]- 182.045881 151.9
[M+CH3COO]- 196.061531 171.8
[M+Na-2H]- 158.022346 132.6
[M]+ 137.04713142 126.1
[M]- 137.04822858 126.1
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