CID 55266499

1000514-64-6

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=C(OC(=C1)/C=C/C(=O)N)CO
InChI
InChI=1S/C8H9NO3/c9-8(11)4-3-6-1-2-7(5-10)12-6/h1-4,10H,5H2,(H2,9,11)/b4-3+
InChIKey
DWYHWSXZHCHXTC-ONEGZZNKSA-N
Compound name
(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

167.05824 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 135.2
[M+Na]+ 190.04746 144.2
[M+NH4]+ 185.09206 141.7
[M+K]+ 206.02140 142.3
[M-H]- 166.05096 136.3
[M+Na-2H]- 188.03291 138.1
[M]+ 167.05769 136.3
[M]- 167.05879 136.3
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