CID 762504

5652-37-9

Structural Information

Molecular Formula
C8H9NO4
SMILES
C1=COC(=C1)C(=O)NCCC(=O)O
InChI
InChI=1S/C8H9NO4/c10-7(11)3-4-9-8(12)6-2-1-5-13-6/h1-2,5H,3-4H2,(H,9,12)(H,10,11)
InChIKey
JYDIWQQDSQKTOK-UHFFFAOYSA-N
Compound name
3-(furan-2-carbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

183.05316 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 138.7
[M+Na]+ 206.04238 146.7
[M+NH4]+ 201.08698 144.5
[M+K]+ 222.01632 145.7
[M-H]- 182.04588 139.1
[M+Na-2H]- 204.02783 141.4
[M]+ 183.05261 139.4
[M]- 183.05371 139.4
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