CID 27790

16275-44-8

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

28
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 127.2
[M+Na]+ 164.03181 136.6
[M+NH4]+ 159.07641 134.5
[M+K]+ 180.00575 134.7
[M-H]- 140.03531 128.8
[M+Na-2H]- 162.01726 130.8
[M]+ 141.04204 128.6
[M]- 141.04314 128.6
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