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 143.1
[M+Na]+ 220.05802 148.6
[M-H]- 196.06152 145.9
[M+NH4]+ 215.10262 161.3
[M+K]+ 236.03196 149.1
[M+H-H2O]+ 180.06606 137.2
[M+HCOO]- 242.06700 165.1
[M+CH3COO]- 256.08265 182.1
[M+Na-2H]- 218.04347 146.0
[M]+ 197.06825 143.9
[M]- 197.06935 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.