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

13
Patents

131.05824 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 125.2
[M+Na]+ 154.047458 130.8
[M-H]- 130.050964 124.8
[M+NH4]+ 149.092063 137.9
[M+K]+ 170.021398 133.3
[M+H-H2O]+ 114.055500 114.7
[M+HCOO]- 176.056441 143.1
[M+CH3COO]- 190.072091 170.4
[M+Na-2H]- 152.032906 129.4
[M]+ 131.05769142 131.8
[M]- 131.05878858 131.8
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