CID 55287529

3-(2-hydroxyacetamido)propanoic acid

Structural Information

Molecular Formula
C5H9NO4
SMILES
C(CNC(=O)CO)C(=O)O
InChI
InChI=1S/C5H9NO4/c7-3-4(8)6-2-1-5(9)10/h7H,1-3H2,(H,6,8)(H,9,10)
InChIKey
XUONBHQGNLJPRV-UHFFFAOYSA-N
Compound name
3-[(2-hydroxyacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

147.05316 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.060436 129.1
[M+Na]+ 170.042378 135.0
[M-H]- 146.045884 126.7
[M+NH4]+ 165.086983 148.4
[M+K]+ 186.016318 134.8
[M+H-H2O]+ 130.050420 124.3
[M+HCOO]- 192.051361 150.5
[M+CH3COO]- 206.067011 171.1
[M+Na-2H]- 168.027826 133.3
[M]+ 147.05261142 128.3
[M]- 147.05370858 128.3
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