CID 544629

3,3-dimethylazetidin-2-one

Structural Information

Molecular Formula
C5H9NO
SMILES
CC1(CNC1=O)C
InChI
InChI=1S/C5H9NO/c1-5(2)3-6-4(5)7/h3H2,1-2H3,(H,6,7)
InChIKey
DCAKVVTXKWWUGN-UHFFFAOYSA-N
Compound name
3,3-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1075
Patents

99.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 117.9
[M+Na]+ 122.05763 125.6
[M-H]- 98.061134 119.5
[M+NH4]+ 117.10223 135.0
[M+K]+ 138.03157 127.5
[M+H-H2O]+ 82.065670 109.4
[M+HCOO]- 144.06661 138.1
[M+CH3COO]- 158.08226 167.7
[M+Na-2H]- 120.04308 125.2
[M]+ 99.067861 124.7
[M]- 99.068959 124.7
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