CID 225935

5835-28-9

Structural Information

Molecular Formula
C4H9NO3
SMILES
C(CO)NCC(=O)O
InChI
InChI=1S/C4H9NO3/c6-2-1-5-3-4(7)8/h5-6H,1-3H2,(H,7,8)
InChIKey
FOUZISDNESEYLX-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5860
Patents

119.05824 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.065516 122.8
[M+Na]+ 142.047458 129.0
[M-H]- 118.050964 120.4
[M+NH4]+ 137.092063 143.4
[M+K]+ 158.021398 128.6
[M+H-H2O]+ 102.055500 118.2
[M+HCOO]- 164.056441 145.0
[M+CH3COO]- 178.072091 166.6
[M+Na-2H]- 140.032906 128.7
[M]+ 119.05769142 121.5
[M]- 119.05878858 121.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe