CID 68590513

(s)-alpha-amino-4-carboxy-3-furanpropanoic acid

Structural Information

Molecular Formula
C8H9NO5
SMILES
C1=C(C(=CO1)C(=O)O)CC(C(=O)O)N
InChI
InChI=1S/C8H9NO5/c9-6(8(12)13)1-4-2-14-3-5(4)7(10)11/h2-3,6H,1,9H2,(H,10,11)(H,12,13)
InChIKey
XZTCUENJMGJQGJ-UHFFFAOYSA-N
Compound name
4-(2-amino-2-carboxyethyl)furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

199.04807 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.055346 141.0
[M+Na]+ 222.037288 147.2
[M-H]- 198.040794 142.4
[M+NH4]+ 217.081893 158.2
[M+K]+ 238.011228 147.3
[M+H-H2O]+ 182.045330 135.5
[M+HCOO]- 244.046271 161.4
[M+CH3COO]- 258.061921 180.4
[M+Na-2H]- 220.022736 142.3
[M]+ 199.04752142 140.4
[M]- 199.04861858 140.4
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

patents stripe