CID 44145404

84912-09-4

Structural Information

Molecular Formula
C9H11NO4
SMILES
CC1=C(OC(=C1C(=O)C)O)C(=O)NC
InChI
InChI=1S/C9H11NO4/c1-4-6(5(2)11)9(13)14-7(4)8(12)10-3/h13H,1-3H3,(H,10,12)
InChIKey
AWMYKGFYNAHTEB-UHFFFAOYSA-N
Compound name
4-acetyl-5-hydroxy-N,3-dimethylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.076076 140.6
[M+Na]+ 220.058018 149.2
[M-H]- 196.061524 144.6
[M+NH4]+ 215.102623 159.9
[M+K]+ 236.031958 149.2
[M+H-H2O]+ 180.066060 135.6
[M+HCOO]- 242.067001 163.6
[M+CH3COO]- 256.082651 185.0
[M+Na-2H]- 218.043466 142.9
[M]+ 197.06825142 143.3
[M]- 197.06934858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.