CID 10606713

1-acetylazetidin-3-one

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC(=O)N1CC(=O)C1
InChI
InChI=1S/C5H7NO2/c1-4(7)6-2-5(8)3-6/h2-3H2,1H3
InChIKey
XFHQLSZVGKALQW-UHFFFAOYSA-N
Compound name
1-acetylazetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

113.047676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 118.0
[M+Na]+ 136.036894 125.2
[M-H]- 112.040400 120.6
[M+NH4]+ 131.081499 133.1
[M+K]+ 152.010834 128.4
[M+H-H2O]+ 96.044936 107.9
[M+HCOO]- 158.045877 139.1
[M+CH3COO]- 172.061527 171.9
[M+Na-2H]- 134.022342 123.6
[M]+ 113.04712742 126.3
[M]- 113.04822458 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe