CID 63282398

2-(3-hydroxyazetidin-1-yl)acetic acid

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1C(CN1CC(=O)O)O
InChI
InChI=1S/C5H9NO3/c7-4-1-6(2-4)3-5(8)9/h4,7H,1-3H2,(H,8,9)
InChIKey
OEEIAGDJEQSNKP-UHFFFAOYSA-N
Compound name
2-(3-hydroxyazetidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

131.05824 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 127.3
[M+Na]+ 154.04746 131.9
[M+NH4]+ 149.09206 129.8
[M+K]+ 170.02140 130.8
[M-H]- 130.05096 122.9
[M+Na-2H]- 152.03291 127.4
[M]+ 131.05769 125.0
[M]- 131.05879 125.0
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