CID 15214552

3-hydroxyazetidin-2-one

Structural Information

Molecular Formula
C3H5NO2
SMILES
C1C(C(=O)N1)O
InChI
InChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)
InChIKey
BYBSZKOGUBQJEE-UHFFFAOYSA-N
Compound name
3-hydroxyazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

87.03203 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.039306 112.0
[M+Na]+ 110.02125 119.0
[M-H]- 86.024754 111.9
[M+NH4]+ 105.06585 126.6
[M+K]+ 125.99519 120.9
[M+H-H2O]+ 70.029290 102.3
[M+HCOO]- 132.03023 131.4
[M+CH3COO]- 146.04588 161.6
[M+Na-2H]- 108.00670 118.6
[M]+ 87.031481 117.2
[M]- 87.032579 117.2
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