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]+ 198.076076 143.1
[M+Na]+ 220.058018 148.6
[M-H]- 196.061524 145.9
[M+NH4]+ 215.102623 161.3
[M+K]+ 236.031958 149.1
[M+H-H2O]+ 180.066060 137.2
[M+HCOO]- 242.067001 165.1
[M+CH3COO]- 256.082651 182.1
[M+Na-2H]- 218.043466 146.0
[M]+ 197.06825142 143.9
[M]- 197.06934858 143.9
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.