CID 165646315

1379354-52-5

Structural Information

Molecular Formula
C8H11NO4
SMILES
C1=C(OC(=C1)C(=O)O)CC(CO)N
InChI
InChI=1S/C8H11NO4/c9-5(4-10)3-6-1-2-7(13-6)8(11)12/h1-2,5,10H,3-4,9H2,(H,11,12)
InChIKey
DXBOBTILIHRWLZ-UHFFFAOYSA-N
Compound name
5-(2-amino-3-hydroxypropyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0688 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 139.4
[M+Na]+ 208.05802 146.9
[M+NH4]+ 203.10262 145.0
[M+K]+ 224.03196 146.8
[M-H]- 184.06152 139.4
[M+Na-2H]- 206.04347 140.9
[M]+ 185.06825 139.9
[M]- 185.06935 139.9
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.