CID 54687243

Tetramic acid

Structural Information

Molecular Formula
C4H5NO2
SMILES
C1C(=CC(=O)N1)O
InChI
InChI=1S/C4H5NO2/c6-3-1-4(7)5-2-3/h1,6H,2H2,(H,5,7)
InChIKey
RUXHWBMJNBBYNL-UHFFFAOYSA-N
Compound name
3-hydroxy-1,2-dihydropyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

148
References

5483
Patents

99.03203 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.03931 115.6
[M+Na]+ 122.02125 124.3
[M-H]- 98.024754 115.6
[M+NH4]+ 117.06585 138.0
[M+K]+ 137.99519 122.7
[M+H-H2O]+ 82.029290 110.7
[M+HCOO]- 144.03023 137.4
[M+CH3COO]- 158.04588 158.2
[M+Na-2H]- 120.00670 121.4
[M]+ 99.031481 112.2
[M]- 99.032579 112.2
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