CID 18471544

3-amino-2,5-dihydrofuran-2-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

542
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 113.9
[M+Na]+ 122.02125 122.7
[M-H]- 98.024754 118.2
[M+NH4]+ 117.06585 137.2
[M+K]+ 137.99519 123.2
[M+H-H2O]+ 82.029290 109.3
[M+HCOO]- 144.03023 139.5
[M+CH3COO]- 158.04588 164.9
[M+Na-2H]- 120.00670 121.2
[M]+ 99.031481 112.6
[M]- 99.032579 112.6
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