CID 27790

5-acetamido-2(5)-furanone

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC(=O)NC1C=CC(=O)O1
InChI
InChI=1S/C6H7NO3/c1-4(8)7-5-2-3-6(9)10-5/h2-3,5H,1H3,(H,7,8)
InChIKey
HUSDLVGPEKVWAL-UHFFFAOYSA-N
Compound name
N-(5-oxo-2H-furan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

32
Patents

141.04259 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 125.5
[M+Na]+ 164.03181 133.3
[M-H]- 140.03531 130.1
[M+NH4]+ 159.07641 147.2
[M+K]+ 180.00575 134.1
[M+H-H2O]+ 124.03985 120.4
[M+HCOO]- 186.04079 150.4
[M+CH3COO]- 200.05644 173.1
[M+Na-2H]- 162.01726 131.4
[M]+ 141.04204 125.9
[M]- 141.04314 125.9
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