CID 57444271

1-(3-acetylphenyl)azetidin-2-one

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(=O)C1=CC(=CC=C1)N2CCC2=O
InChI
InChI=1S/C11H11NO2/c1-8(13)9-3-2-4-10(7-9)12-6-5-11(12)14/h2-4,7H,5-6H2,1H3
InChIKey
SYXZFPHDSAVEIM-UHFFFAOYSA-N
Compound name
1-(3-acetylphenyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

189.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 136.8
[M+Na]+ 212.068198 143.8
[M-H]- 188.071704 142.2
[M+NH4]+ 207.112803 148.7
[M+K]+ 228.042138 144.8
[M+H-H2O]+ 172.076240 124.7
[M+HCOO]- 234.077181 157.5
[M+CH3COO]- 248.092831 186.9
[M+Na-2H]- 210.053646 141.1
[M]+ 189.07843142 145.2
[M]- 189.07952858 145.2
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