CID 544627

4,4-dimethylazetidin-2-one

Structural Information

Molecular Formula
C5H9NO
SMILES
CC1(CC(=O)N1)C
InChI
InChI=1S/C5H9NO/c1-5(2)3-4(7)6-5/h3H2,1-2H3,(H,6,7)
InChIKey
IGWGXZKGWFYOHE-UHFFFAOYSA-N
Compound name
4,4-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

99.06841 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 118.8
[M+Na]+ 122.05763 125.5
[M+NH4]+ 117.10223 124.4
[M+K]+ 138.03157 120.7
[M-H]- 98.061134 116.3
[M+Na-2H]- 120.04308 122.6
[M]+ 99.067861 117.8
[M]- 99.068959 117.8
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