CID 105540

2-aminoethyl hydroxyacetate

Structural Information

Molecular Formula
C4H9NO3
SMILES
C(COC(=O)CO)N
InChI
InChI=1S/C4H9NO3/c5-1-2-8-4(7)3-6/h6H,1-3,5H2
InChIKey
FPWNJWWLQAXJAA-UHFFFAOYSA-N
Compound name
2-aminoethyl 2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

119.05824 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 122.7
[M+Na]+ 142.047458 129.5
[M-H]- 118.050964 121.3
[M+NH4]+ 137.092063 143.9
[M+K]+ 158.021398 129.7
[M+H-H2O]+ 102.055500 118.0
[M+HCOO]- 164.056441 145.9
[M+CH3COO]- 178.072091 167.8
[M+Na-2H]- 140.032906 128.1
[M]+ 119.05769142 122.3
[M]- 119.05878858 122.3
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