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

9
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 132.1
[M+Na]+ 186.03729 137.2
[M-H]- 162.04079 128.3
[M+NH4]+ 181.08189 149.8
[M+K]+ 202.01123 137.1
[M+H-H2O]+ 146.04533 127.2
[M+HCOO]- 208.04627 151.2
[M+CH3COO]- 222.06192 172.6
[M+Na-2H]- 184.02274 134.5
[M]+ 163.04752 130.2
[M]- 163.04862 130.2
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