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

5946
Patents

119.05824 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 122.8
[M+Na]+ 142.04746 129.0
[M-H]- 118.05096 120.4
[M+NH4]+ 137.09206 143.4
[M+K]+ 158.02140 128.6
[M+H-H2O]+ 102.05550 118.2
[M+HCOO]- 164.05644 145.0
[M+CH3COO]- 178.07209 166.6
[M+Na-2H]- 140.03291 128.7
[M]+ 119.05769 121.5
[M]- 119.05879 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