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

25
Patents

113.047676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 121.7
[M+Na]+ 136.03689 128.0
[M+NH4]+ 131.08150 125.3
[M+K]+ 152.01083 125.7
[M-H]- 112.04040 118.7
[M+Na-2H]- 134.02234 123.5
[M]+ 113.04713 120.2
[M]- 113.04822 120.2
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