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

11
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 125.2
[M+Na]+ 154.04746 130.8
[M-H]- 130.05096 124.8
[M+NH4]+ 149.09206 137.9
[M+K]+ 170.02140 133.3
[M+H-H2O]+ 114.05550 114.7
[M+HCOO]- 176.05644 143.1
[M+CH3COO]- 190.07209 170.4
[M+Na-2H]- 152.03291 129.4
[M]+ 131.05769 131.8
[M]- 131.05879 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