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

8
Patents

119.05824 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 122.7
[M+Na]+ 142.04746 129.5
[M-H]- 118.05096 121.3
[M+NH4]+ 137.09206 143.9
[M+K]+ 158.02140 129.7
[M+H-H2O]+ 102.05550 118.0
[M+HCOO]- 164.05644 145.9
[M+CH3COO]- 178.07209 167.8
[M+Na-2H]- 140.03291 128.1
[M]+ 119.05769 122.3
[M]- 119.05879 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