CID 136721

2-azetidinone

Structural Information

Molecular Formula
C3H5NO
SMILES
C1CNC1=O
InChI
InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)
InChIKey
MNFORVFSTILPAW-UHFFFAOYSA-N
Compound name
azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

136
References

24462
Patents

71.03712 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.044396 107.5
[M+Na]+ 94.026338 114.3
[M-H]- 70.029844 108.6
[M+NH4]+ 89.070943 123.4
[M+K]+ 110.00028 116.8
[M+H-H2O]+ 54.034380 97.8
[M+HCOO]- 116.03532 128.4
[M+CH3COO]- 130.05097 161.1
[M+Na-2H]- 92.011786 115.7
[M]+ 71.036571 112.9
[M]- 71.037669 112.9
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