CID 24696986

3-[3-(furan-2-yl)prop-2-enamido]propanoic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=COC(=C1)/C=C/C(=O)NCCC(=O)O
InChI
InChI=1S/C10H11NO4/c12-9(11-6-5-10(13)14)4-3-8-2-1-7-15-8/h1-4,7H,5-6H2,(H,11,12)(H,13,14)/b4-3+
InChIKey
KAIDPALCXIWYGN-ONEGZZNKSA-N
Compound name
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 147.1
[M+Na]+ 232.05802 154.8
[M+NH4]+ 227.10262 152.4
[M+K]+ 248.03196 153.2
[M-H]- 208.06152 147.2
[M+Na-2H]- 230.04347 149.2
[M]+ 209.06825 147.6
[M]- 209.06935 147.6
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

No patent data available for this compound.