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

50
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 118.0
[M+Na]+ 136.03689 125.2
[M-H]- 112.04040 120.6
[M+NH4]+ 131.08150 133.1
[M+K]+ 152.01083 128.4
[M+H-H2O]+ 96.044936 107.9
[M+HCOO]- 158.04588 139.1
[M+CH3COO]- 172.06153 171.9
[M+Na-2H]- 134.02234 123.6
[M]+ 113.04713 126.3
[M]- 113.04822 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