CID 11062345

1-(3-hydroxyazetidin-1-yl)ethan-1-one

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

254
Patents

115.06333 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 121.3
[M+Na]+ 138.052548 127.7
[M-H]- 114.056054 122.4
[M+NH4]+ 133.097153 135.6
[M+K]+ 154.026488 130.5
[M+H-H2O]+ 98.060590 111.1
[M+HCOO]- 160.061531 140.6
[M+CH3COO]- 174.077181 170.2
[M+Na-2H]- 136.037996 126.1
[M]+ 115.06278142 128.3
[M]- 115.06387858 128.3
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