CID 18471544

3-aminofuran-2(5h)-one

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1C=C(C(=O)O1)N
InChI
InChI=1S/C4H5NO2/c5-3-1-2-7-4(3)6/h1H,2,5H2
InChIKey
JVHUSEAVQWFNIX-UHFFFAOYSA-N
Compound name
4-amino-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

99.03203 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.03931 115.2
[M+Na]+ 122.02125 125.5
[M+NH4]+ 117.06585 123.7
[M+K]+ 137.99519 123.2
[M-H]- 98.024754 117.8
[M+Na-2H]- 120.00670 119.9
[M]+ 99.031481 117.1
[M]- 99.032579 117.1
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