CID 3192751

2-[(furan-2-yl)formamido]butanoic acid

Structural Information

Molecular Formula
C9H11NO4
SMILES
CCC(C(=O)O)NC(=O)C1=CC=CO1
InChI
InChI=1S/C9H11NO4/c1-2-6(9(12)13)10-8(11)7-4-3-5-14-7/h3-6H,2H2,1H3,(H,10,11)(H,12,13)
InChIKey
QSNGUCJSRYFXIZ-UHFFFAOYSA-N
Compound name
2-(furan-2-carbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.07608 143.2
[M+Na]+ 220.05802 150.7
[M+NH4]+ 215.10262 148.8
[M+K]+ 236.03196 150.3
[M-H]- 196.06152 143.3
[M+Na-2H]- 218.04347 145.3
[M]+ 197.06825 143.7
[M]- 197.06935 143.7
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.