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]+ 200.05535 141.0
[M+Na]+ 222.03729 147.2
[M-H]- 198.04079 142.4
[M+NH4]+ 217.08189 158.2
[M+K]+ 238.01123 147.3
[M+H-H2O]+ 182.04533 135.5
[M+HCOO]- 244.04627 161.4
[M+CH3COO]- 258.06192 180.4
[M+Na-2H]- 220.02274 142.3
[M]+ 199.04752 140.4
[M]- 199.04862 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