CID 87071682

Chebi:193082

Structural Information

Molecular Formula
C5H9NO5
SMILES
C(CNC(C(=O)O)O)C(=O)O
InChI
InChI=1S/C5H9NO5/c7-3(8)1-2-6-4(9)5(10)11/h4,6,9H,1-2H2,(H,7,8)(H,10,11)
InChIKey
LEZZJBNLEXINAH-UHFFFAOYSA-N
Compound name
3-[[carboxy(hydroxy)methyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.04807 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.05535 133.0
[M+Na]+ 186.03729 138.4
[M+NH4]+ 181.08189 137.0
[M+K]+ 202.01123 138.0
[M-H]- 162.04079 128.3
[M+Na-2H]- 184.02274 132.4
[M]+ 163.04752 131.5
[M]- 163.04862 131.5
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.