CID 11062345

1-acetyl-3-hydroxyazetidine

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC(=O)N1CC(C1)O
InChI
InChI=1S/C5H9NO2/c1-4(7)6-2-5(8)3-6/h5,8H,2-3H2,1H3
InChIKey
CSJAIVZAJZXEAW-UHFFFAOYSA-N
Compound name
1-(3-hydroxyazetidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

115.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.0
[M+Na]+ 138.05255 128.7
[M+NH4]+ 133.09715 126.5
[M+K]+ 154.02649 126.8
[M-H]- 114.05605 119.7
[M+Na-2H]- 136.03800 124.4
[M]+ 115.06278 121.4
[M]- 115.06388 121.4
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